Chembase list of 866358 unique molecular structures

2-(1H-pyrrol-1-yl)ethyl methanesulfonate

$$$$ Data

M. F.

C7H11NO3S

Suppliers	Catalog Number
Life Chemicals	F2147-0153

Database	Data ID
PubChem	13077377

M. W.

189.23214

CAS

Similarity

N/A

ID: 116452

1-(2-iodoethyl)-1H-pyrrole

$$$$ Data

M. F.

C6H8IN

Suppliers	Catalog Number
Life Chemicals	F2147-0154

Database	Data ID
PubChem	11770011

M. W.

221.03889

CAS

Similarity

N/A

ID: 116453

tert-butyl N-[2-(1H-pyrrol-1-yl)ethyl]carbamate

$$$$ Data

M. F.

C11H18N2O2

Suppliers	Catalog Number
Life Chemicals	F2147-0155

Database	Data ID
PubChem	33678423

M. W.

210.27282

CAS

Similarity

N/A

ID: 116454

2-{[(tert-butoxy)carbonyl][2-(1H-pyrrol-1-yl)ethyl]amino}acetic acid

$$$$ Data

M. F.

C13H20N2O4

Suppliers	Catalog Number
Life Chemicals	F2147-0156

Database	Data ID
PubChem	33678428

M. W.

268.3089

CAS

Similarity

N/A

ID: 116455

3,5-dimethyl-4-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-yl}-1,2-oxazole

$$$$ Data

M. F.

C12H15N3O

Suppliers	Catalog Number
Life Chemicals	F2147-0157

Database	Data ID
PubChem	45496474

M. W.

217.267

CAS

Similarity

N/A

ID: 116456

1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxylic acid

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Life Chemicals	F2147-0158

Database	Data ID
PubChem	45496475

M. W.

166.1772

CAS

Similarity

N/A

ID: 116457

2-[(tert-butoxy)carbonyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxylic acid

$$$$ Data

M. F.

C13H18N2O4

Suppliers	Catalog Number
Life Chemicals	F2147-0159

Database	Data ID
PubChem	45496476

M. W.

266.29302

CAS

Similarity

N/A

ID: 116458

2,3-dihydro-1,4-benzodioxin-2-ylmethyl methanesulfonate

$$$$ Data

M. F.

C10H12O5S

Suppliers	Catalog Number
Life Chemicals	F2147-0160

Database	Data ID
PubChem	263445

M. W.

244.26428

CAS

Similarity

N/A

ID: 116459

[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)sulfanyl]methanimidamide

$$$$ Data

M. F.

C10H12N2O2S

Suppliers	Catalog Number
Life Chemicals	F2147-0161

Database	Data ID
PubChem	2863065

M. W.

224.27948

CAS

Similarity

N/A

ID: 116460

1,1-diethoxy-2-isothiocyanatoethane

$$$$ Data

M. F.

C7H13NO2S

Suppliers	Catalog Number
Life Chemicals	F2147-0162

Database	Data ID
PubChem	377608

M. W.

175.24862

CAS

Similarity

N/A

ID: 116461

2-(isothiocyanatomethyl)-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
Life Chemicals	F2147-0163

Database	Data ID
PubChem	45496477

M. W.

207.24896

CAS

Similarity

N/A

ID: 116462

ethyl 3-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Life Chemicals	F2147-0164

Database	Data ID
PubChem	45496478

M. W.

219.27958

CAS

Similarity

N/A

ID: 116463

ethyl 3-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxylate

$$$$ Data

M. F.

C14H19NO2

Suppliers	Catalog Number
Life Chemicals	F2147-0165

Database	Data ID
PubChem	45496479

M. W.

233.30616

CAS

Similarity

N/A

ID: 116464

ethyl 3-benzyl-1,2,3,4-tetrahydroquinoline-3-carboxylate

$$$$ Data

M. F.

C19H21NO2

Suppliers	Catalog Number
Life Chemicals	F2147-0166

Database	Data ID
PubChem	45496480

M. W.

295.37554

CAS

Similarity

N/A

ID: 116465

3-(3-methyl-1,2-oxazol-5-yl)propan-1-ol

$$$$ Data

M. F.

C7H11NO2

Suppliers	Catalog Number
Life Chemicals	F2147-0167

Database	Data ID
PubChem	10011992

M. W.

141.16774

CAS

105658-49-9

Similarity

N/A

ID: 116466

3-(3-methyl-1,2-oxazol-5-yl)propyl methanesulfonate

$$$$ Data

M. F.

C8H13NO4S

Suppliers	Catalog Number
Life Chemicals	F2147-0168

Database	Data ID
PubChem	33678486

M. W.

219.25812

CAS

Similarity

N/A

ID: 116467

5-(3-iodopropyl)-3-methyl-1,2-oxazole

$$$$ Data

M. F.

C7H10INO

Suppliers	Catalog Number
Life Chemicals	F2147-0169

Database	Data ID
PubChem	20064108

M. W.

251.06487

CAS

Similarity

N/A

ID: 116468

3-(3-methyl-1,2-oxazol-5-yl)propan-1-amine

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0170

Database	Data ID
PubChem	10820613

M. W.

140.18298

CAS

Similarity

N/A

ID: 116469

pent-4-yn-1-yl methanesulfonate

$$$$ Data

M. F.

C6H10O3S

Suppliers	Catalog Number
Life Chemicals	F2147-0171

Database	Data ID
PubChem	12476209

M. W.

162.2068

CAS

68275-03-6

Similarity

N/A

ID: 116470

2-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine

$$$$ Data

M. F.

C8H3ClF3N3O

Suppliers	Catalog Number
Life Chemicals	F2147-0174

Database	Data ID
PubChem	33678502

M. W.

249.5771296

CAS

Similarity

N/A

ID: 116471

2-{[(tert-butoxy)carbonyl](prop-2-yn-1-yl)amino}acetic acid

$$$$ Data

M. F.

C10H15NO4

Suppliers	Catalog Number
Life Chemicals	F2147-0175

Database	Data ID
PubChem	10262630

M. W.

213.2304

CAS

Similarity

N/A

ID: 116472

6-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Life Chemicals	F2147-0176

Database	Data ID
PubChem	18416274

M. W.

191.22972

CAS

Similarity

N/A

ID: 116473

2-bromo-6-methoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol

$$$$ Data

M. F.

C10H6BrF3N2O3

Suppliers	Catalog Number
Life Chemicals	F2147-0177

Database	Data ID
PubChem	45496481

M. W.

339.0654496

CAS

Similarity

N/A

ID: 116474

1-N-(2-aminoethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Life Chemicals	F2147-0178
Enamine	EN300-73112

Database	Data ID
PubChem	1579386

M. W.

151.20892

CAS

128995-76-6

Similarity

N/A

ID: 116475

3-hydroxy-4-nitrobenzonitrile

$$$$ Data

M. F.

C7H4N2O3

Suppliers	Catalog Number
Life Chemicals	F2147-0180
A&J Pharmtech	AJA-O31469

Database	Data ID
PubChem	15111921

M. W.

164.11826

CAS

18495-15-3

Similarity

N/A

ID: 116476

3-hydroxy-2-nitrobenzonitrile

$$$$ Data

M. F.

C7H4N2O3

Suppliers	Catalog Number
Life Chemicals	F2147-0181

Database	Data ID
PubChem	13862423

M. W.

164.11826

CAS

129298-23-3

Similarity

N/A

ID: 116477

2-amino-3-hydroxybenzonitrile

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0182

Database	Data ID
PubChem	15906336

M. W.

134.13534

CAS

211172-52-0

Similarity

N/A

ID: 116478

tert-butyl 2-(bromomethyl)-1H-1,3-benzodiazole-1-carboxylate

$$$$ Data

M. F.

C13H15BrN2O2

Suppliers	Catalog Number
Life Chemicals	F2147-0183

Database	Data ID
PubChem	11381356

M. W.

311.1744

CAS

Similarity

N/A

ID: 116479

1-tert-butylazetidin-3-yl methanesulfonate

$$$$ Data

M. F.

C8H17NO3S

Suppliers	Catalog Number
Life Chemicals	F2147-0184

Database	Data ID
PubChem	605897

M. W.

207.29048

CAS

Similarity

N/A

ID: 116480

1-tert-butylazetidin-3-yl 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C14H21NO3S

Suppliers	Catalog Number
Life Chemicals	F2147-0185

Database	Data ID
PubChem	22647985

M. W.

283.38644

CAS

Similarity

N/A

ID: 116481

1-[(4-fluorophenyl)methyl]-1H-indole

$$$$ Data

M. F.

C15H12FN

Suppliers	Catalog Number
Life Chemicals	F2147-0189

Database	Data ID
PubChem	967127

M. W.

225.2608832

CAS

Similarity

N/A

ID: 116482

1-[(3-fluorophenyl)methyl]-1H-indole

$$$$ Data

M. F.

C15H12FN

Suppliers	Catalog Number
Life Chemicals	F2147-0190

Database	Data ID
PubChem	4612725

M. W.

225.2608832

CAS

Similarity

N/A

ID: 116483

1-[(4-bromophenyl)methyl]-1H-indole

$$$$ Data

M. F.

C15H12BrN

Suppliers	Catalog Number
Life Chemicals	F2147-0191

Database	Data ID
PubChem	5139586

M. W.

286.16648

CAS

Similarity

N/A

ID: 116484

5-oxopyrrolidine-3-carbohydrazide

$$$$ Data

M. F.

C5H9N3O2

Suppliers	Catalog Number
Life Chemicals	F2147-0193

Database	Data ID
PubChem	13195062

M. W.

143.14386

CAS

1105193-37-0

Similarity

N/A

ID: 116485

2-[2-(2-chloro-6,7-dimethylquinolin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dio...

$$$$ Data

M. F.

C21H17ClN2O2

Suppliers	Catalog Number
Life Chemicals	F2147-0195

Database	Data ID
PubChem	33678532

M. W.

364.82488

CAS

Similarity

N/A

ID: 116486

2-[2-(2-chloro-6,7-dimethoxyquinolin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-di...

$$$$ Data

M. F.

C21H17ClN2O4

Suppliers	Catalog Number
Life Chemicals	F2147-0196

Database	Data ID
PubChem	33678535

M. W.

396.82368

CAS

Similarity

N/A

ID: 116487

2-[2-(2-chloro-5,8-dimethoxyquinolin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-di...

$$$$ Data

M. F.

C21H17ClN2O4

Suppliers	Catalog Number
Life Chemicals	F2147-0197

Database	Data ID
PubChem	33678538

M. W.

396.82368

CAS

Similarity

N/A

ID: 116488

2-[2-(2-chloro-7-methylquinolin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C20H15ClN2O2

Suppliers	Catalog Number
Life Chemicals	F2147-0198

Database	Data ID
PubChem	33678542

M. W.

350.7983

CAS

Similarity

N/A

ID: 116489

2-[2-(2-chloro-5,8-dimethylquinolin-3-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dio...

$$$$ Data

M. F.

C21H17ClN2O2

Suppliers	Catalog Number
Life Chemicals	F2147-0199

Database	Data ID
PubChem	33678546

M. W.

364.82488

CAS

Similarity

N/A

ID: 116490

{[(5-cyanothiophen-2-yl)methyl]sulfanyl}methanimidamide

$$$$ Data

M. F.

C7H7N3S2

Suppliers	Catalog Number
Life Chemicals	F2147-0200

Database	Data ID
PubChem	33678550

M. W.

197.28058

CAS

Similarity

N/A

ID: 116491

(5-methoxy-1-benzofuran-2-yl)methanol

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Life Chemicals	F2147-0201
Enamine	EN300-77405

Database	Data ID
PubChem	15161064

M. W.

178.1846

CAS

37603-26-2

Similarity

N/A

ID: 116492

4-amino-1-methylpyrrolidin-2-one

$$$$ Data

M. F.

C5H10N2O

Suppliers	Catalog Number
ChemBridge	4014078
Life Chemicals	F2147-0202
Enamine	EN300-62477

Database	Data ID
PubChem	43521024

M. W.

114.1457

CAS

933744-16-2

Similarity

N/A

ID: 116493

4-amino-1-ethylpyrrolidin-2-one

$$$$ Data

M. F.

C6H12N2O

Suppliers	Catalog Number
ChemBridge	4014079
Life Chemicals	F2147-0203

Database	Data ID
PubChem	43521151

M. W.

128.17228

CAS

Similarity

N/A

ID: 116494

4-amino-1-(propan-2-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
ChemBridge	4014081
Life Chemicals	F2147-0204

Database	Data ID
PubChem	43521026

M. W.

142.19886

CAS

936940-33-9

Similarity

N/A

ID: 116495

4-amino-1-cyclopropylpyrrolidin-2-one

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0205

Database	Data ID
PubChem	43521152

M. W.

140.18298

CAS

Similarity

N/A

ID: 116496

4-amino-1-cyclopentylpyrrolidin-2-one

$$$$ Data

M. F.

C9H16N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0206

Database	Data ID
PubChem	43521154

M. W.

168.23614

CAS

Similarity

N/A

ID: 116497

4-amino-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C9H12N2OS

Suppliers	Catalog Number
Life Chemicals	F2147-0207

Database	Data ID
PubChem	43521134

M. W.

196.26938

CAS

Similarity

N/A

ID: 116498

1-(4-methylbenzenesulfonyl)-1H-indole

$$$$ Data

M. F.

C15H13NO2S

Suppliers	Catalog Number
Alfa Aesar	B22320
Life Chemicals	F2147-0208

Database	Data ID
PubChem	10956616

M. W.

271.33422

CAS

31271-90-6

Similarity

N/A

ID: 116499

tert-butyl 1-(aminomethyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate

$$$$ Data

M. F.

C13H21N3O2

Suppliers	Catalog Number
Life Chemicals	F2147-0211

Database	Data ID
PubChem	45496483

M. W.

251.32474

CAS

Similarity

N/A

ID: 116500

3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Life Chemicals	F2147-0212

Database	Data ID
PubChem	15187049

M. W.

203.28018

CAS

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