Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
Matrix Scientific	065401

Database	Data ID
PubChem	21099789

M. W.

195.25818

CAS

Similarity

N/A

ID: 60202

[1-(morpholin-4-yl)cycloheptyl]methanamine

$$$$ Data

M. F.

C12H24N2O

Suppliers	Catalog Number
ChemBridge	4102175
Matrix Scientific	065402

Database	Data ID
PubChem	16774192

M. W.

212.33176

CAS

891638-31-6

Similarity

N/A

ID: 60203

3-chloro-N-methylpropanamide

$$$$ Data

M. F.

C4H8ClNO

Suppliers	Catalog Number
ChemBridge	4027989
Matrix Scientific	065403
Enamine	EN300-33615

Database	Data ID
PubChem	249378

M. W.

121.56542

CAS

41789-28-0

Similarity

N/A

ID: 60204

4-tert-butylazepane

$$$$ Data More

M. F.

C10H21N

Suppliers	Catalog Number
ChemBridge	4042849
Matrix Scientific	065404
TRC	B690600

Database	Data ID
PubChem	22764270

M. W.

155.28044

CAS

78813-90-8

Similarity

N/A

ID: 60205

N-[(1Z)-2-methylcyclohexylidene]hydroxylamine

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Matrix Scientific	065405

Database	Data ID
PubChem	5362692

M. W.

127.18422

CAS

Similarity

N/A

ID: 60206

ethyl [(2-methylphenyl)carbamoyl]formate

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Matrix Scientific	065406

Database	Data ID
PubChem	366755

M. W.

207.22582

CAS

Similarity

N/A

ID: 60207

N-methylcyclopentanecarboxamide

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Matrix Scientific	065407

Database	Data ID
PubChem	12247355

M. W.

127.18422

CAS

Similarity

N/A

ID: 60208

2-[(2-hydroxyethyl)(methyl)amino]acetic acid

$$$$ Data

M. F.

C5H11NO3

Suppliers	Catalog Number
ChemBridge	4027421
Matrix Scientific	065408
Enamine	EN300-107899

Database	Data ID
PubChem	11446353

M. W.

133.14574

CAS

26294-19-9

Similarity

N/A

ID: 60209

N-methyl-2-(2-methylphenyl)-2-oxoacetamide

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Matrix Scientific	065409

Database	Data ID
PubChem	15239356

M. W.

177.19984

CAS

Similarity

N/A

ID: 60210

5-ethylazepan-2-one

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
ChemBridge	4042732
Matrix Scientific	065410
Enamine	EN300-79846

Database	Data ID
PubChem	12349307

M. W.

141.2108

CAS

34303-48-5

Similarity

N/A

ID: 60211

4-amino-4-methylpentanoic acid

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
ChemBridge	4020441
Matrix Scientific	065411
Enamine	EN300-58734

Database	Data ID
PubChem	228069

M. W.

131.17292

CAS

3235-46-9

Similarity

N/A

ID: 60212

ethyl 2-methyl-3-(methylamino)propanoate

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Matrix Scientific	065412

Database	Data ID
PubChem	53211682

M. W.

145.1995

CAS

Similarity

N/A

ID: 60213

methyl 4-(chloromethyl)benzoate

$$$$ Data More

M. F.

C9H9ClO2

Suppliers	Catalog Number
Alfa Aesar	B22476
Matrix Scientific	065413
Apollo Scientific	OR59468

Database	Data ID
PubChem	36664

M. W.

184.61956

CAS

34040-64-7

Similarity

N/A

ID: 60214

methyl cyclopentanecarboxylate

$$$$ Data

M. F.

C7H12O2

Suppliers	Catalog Number
Alfa Aesar	L00741
Matrix Scientific	065414
A&J Pharmtech	AJA-O117

Database	Data ID
PubChem	78365

M. W.

128.16898

CAS

4630-80-2

Similarity

N/A

ID: 60215

N-methyl-4-[(methylamino)methyl]benzamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Matrix Scientific	065415
Enamine	EN300-36939

Database	Data ID
PubChem	7130979

M. W.

178.23096

CAS

Similarity

N/A

ID: 60216

4-[(methylamino)methyl]benzoic acid

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
ChemBridge	4043756
Matrix Scientific	065416

Database	Data ID
PubChem	13922254

M. W.

165.18914

CAS

96084-38-7

Similarity

N/A

ID: 60217

ethyl 1-ethylpiperidine-4-carboxylate

$$$$ Data

M. F.

C10H19NO2

Suppliers	Catalog Number
Matrix Scientific	065417

Database	Data ID
PubChem	11106043

M. W.

185.26336

CAS

Similarity

N/A

ID: 60218

1-ethylpiperidine-4-carboxamide

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Matrix Scientific	065418

Database	Data ID
PubChem	567825

M. W.

156.22544

CAS

Similarity

N/A

ID: 60219

4-(aminomethyl)-N-methylcyclohexane-1-carboxamide

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Matrix Scientific	065419

Database	Data ID
PubChem	9812873

M. W.

170.25202

CAS

Similarity

N/A

ID: 60220

5-fluoro-1H-1,2,3-benzotriazole

$$$$ Data

M. F.

C6H4FN3

Suppliers	Catalog Number
Matrix Scientific	065420
A&J Pharmtech	AJA-O40085

Database	Data ID
PubChem	586225

M. W.

137.1144632

CAS

18225-90-6

Similarity

N/A

ID: 60221

4,5-dimethyl-1H-1,2,3-benzotriazole

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Matrix Scientific	065421

Database	Data ID
PubChem	15685509

M. W.

147.17716

CAS

Similarity

N/A

ID: 60222

1-benzyl-5-oxopyrrolidine-3-carbonyl chloride

$$$$ Data

M. F.

C12H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	065422

Database	Data ID
PubChem	14075470

M. W.

237.68218

CAS

Similarity

N/A

ID: 60223

1-ethyl-5-oxopyrrolidine-3-carbonyl chloride

$$$$ Data

M. F.

C7H10ClNO2

Suppliers	Catalog Number
Matrix Scientific	065423

Database	Data ID
PubChem	53216197

M. W.

175.6128

CAS

Similarity

N/A

ID: 60224

1-methyl-5-oxopyrrolidine-3-carbonyl chloride

$$$$ Data

M. F.

C6H8ClNO2

Suppliers	Catalog Number
Matrix Scientific	065424

Database	Data ID
PubChem	53216198

M. W.

161.58622

CAS

Similarity

N/A

ID: 60225

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl chloride

$$$$ Data

M. F.

C10H6ClNO3

Suppliers	Catalog Number
Sigma Aldrich	636401
Matrix Scientific	065425
Life Chemicals	F2146-0396

Database	Data ID
PubChem	81242

M. W.

223.61254

CAS

6780-38-7

Similarity

N/A

ID: 60226

5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl chloride

$$$$ Data

M. F.

C13H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	065426

Database	Data ID
PubChem	50873926

M. W.

251.70876

CAS

Similarity

N/A

ID: 60227

1-cyclohexyl-5-oxopyrrolidine-3-carbonyl chloride

$$$$ Data

M. F.

C11H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	065427

Database	Data ID
PubChem	50874057

M. W.

229.70324

CAS

Similarity

N/A

ID: 60228

4-[(4-chlorophenyl)(morpholin-4-yl)methyl]morpholine

$$$$ Data

M. F.

C15H21ClN2O2

Suppliers	Catalog Number
Matrix Scientific	065428

Database	Data ID
PubChem	710520

M. W.

296.79244

CAS

Similarity

N/A

ID: 60229

1,3-dichloro-2-methoxy-5-nitrobenzene

$$$$ Data

M. F.

C7H5Cl2NO3

Suppliers	Catalog Number
Matrix Scientific	065429
Apollo Scientific	OR4512

Database	Data ID
PubChem	309716

M. W.

222.0255

CAS

17742-69-7

Similarity

N/A

ID: 60230

ethyl 2-amino-4-hydroxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

$$$$ Data

M. F.

C10H14N4O3

Suppliers	Catalog Number
Matrix Scientific	065430

Database	Data ID
PubChem	52991729

M. W.

238.24316

CAS

Similarity

N/A

ID: 60231

2-methyl-3H,4H-pyrido[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
ChemBridge	4043360
Matrix Scientific	065432

Database	Data ID
PubChem	206627

M. W.

161.16068

CAS

28279-12-1

Similarity

N/A

ID: 60232

3-amino-8-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
ChemBridge	4043409
Matrix Scientific	065433

Database	Data ID
PubChem	10352197

M. W.

175.18726

CAS

Similarity

N/A

ID: 60233

1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C9H15NO4

Suppliers	Catalog Number
Matrix Scientific	065434

Database	Data ID
PubChem	4777964

M. W.

201.2197

CAS

Similarity

N/A

ID: 60234

5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H10FN3S2

Suppliers	Catalog Number
Matrix Scientific	065435

Database	Data ID
PubChem	659622

M. W.

255.3349032

CAS

Similarity

N/A

ID: 60235

1-(4-fluorobenzoyl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C13H14FNO3

Suppliers	Catalog Number
Matrix Scientific	065436
Enamine	EN300-23985

Database	Data ID
PubChem	4713643

M. W.

251.2535632

CAS

Similarity

N/A

ID: 60236

2-(3-phenylpropanesulfonyl)benzoic acid

$$$$ Data

M. F.

C16H16O4S

Suppliers	Catalog Number
Matrix Scientific	065437

Database	Data ID
PubChem	29556583

M. W.

304.36084

CAS

Similarity

N/A

ID: 60237

2-[(4-chlorophenyl)methanesulfonyl]benzoic acid

$$$$ Data

M. F.

C14H11ClO4S

Suppliers	Catalog Number
Matrix Scientific	065438

Database	Data ID
PubChem	20983894

M. W.

310.75274

CAS

Similarity

N/A

ID: 60238

methyl 2-acetamido-2-methylpropanoate

$$$$ Data

M. F.

C7H13NO3

Suppliers	Catalog Number
Matrix Scientific	065439

Database	Data ID
PubChem	547366

M. W.

159.18302

CAS

Similarity

N/A

ID: 60239

1-[2-(butan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C15H19NO3

Suppliers	Catalog Number
Matrix Scientific	065440
Enamine	EN300-06455

Database	Data ID
PubChem	3682817

M. W.

261.31626

CAS

Similarity

N/A

ID: 60240

1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C11H9Cl2NO3

Suppliers	Catalog Number
Matrix Scientific	065441
Enamine	EN300-53923

Database	Data ID
PubChem	3583354

M. W.

274.10006

CAS

Similarity

N/A

ID: 60241

1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H12BrNO3

Suppliers	Catalog Number
Matrix Scientific	065442
Life Chemicals	F2190-0700

Database	Data ID
PubChem	18070775

M. W.

298.13258

CAS

Similarity

N/A

ID: 60242

5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H10ClN3S2

Suppliers	Catalog Number
Matrix Scientific	065443

Database	Data ID
PubChem	744068

M. W.

271.7895

CAS

Similarity

N/A

ID: 60243

3-[(3,5-dimethoxyphenyl)formamido]propanoic acid

$$$$ Data

M. F.

C12H15NO5

Suppliers	Catalog Number
Matrix Scientific	065444

Database	Data ID
PubChem	16489209

M. W.

253.2512

CAS

Similarity

N/A

ID: 60244

2-(3-methylbutanesulfonyl)benzoic acid

$$$$ Data

M. F.

C12H16O4S

Suppliers	Catalog Number
Matrix Scientific	065445

Database	Data ID
PubChem	17204471

M. W.

256.31804

CAS

Similarity

N/A

ID: 60245

2-(propane-1-sulfonyl)benzoic acid

$$$$ Data

M. F.

C10H12O4S

Suppliers	Catalog Number
Matrix Scientific	065446
Enamine	EN300-39197

Database	Data ID
PubChem	24689772

M. W.

228.26488

CAS

Similarity

N/A

ID: 60246

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide

$$$$ Data

M. F.

C13H16N4OS

Suppliers	Catalog Number
Matrix Scientific	065447

Database	Data ID
PubChem	51371078

M. W.

276.35734

CAS

Similarity

N/A

ID: 60247

1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C11H9F2NO3

Suppliers	Catalog Number
Matrix Scientific	065448
Enamine	EN300-53398

Database	Data ID
PubChem	16769812

M. W.

241.1908664

CAS

Similarity

N/A

ID: 60248

2-bromobutanamide

$$$$ Data

M. F.

C4H8BrNO

Suppliers	Catalog Number
Matrix Scientific	065449
Enamine	EN300-65839

Database	Data ID
PubChem	220998

M. W.

166.01642

CAS

Similarity

N/A

ID: 60249

1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C15H19NO3

Suppliers	Catalog Number
Matrix Scientific	065450
Enamine	EN300-31432

Database	Data ID
PubChem	2793698

M. W.

261.31626

CAS

Similarity

N/A

ID: 60250

2-bromo-2-methylpropanamide

$$$$ Data More

M. F.

C4H8BrNO

Suppliers	Catalog Number
Sigma Aldrich	701262
Matrix Scientific	065451
Apollo Scientific	OR59336

Database	Data ID
PubChem	101235

M. W.

166.01642

CAS

7462-74-0

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified