Chembase list of 866358 unique molecular structures

2-(1-methyl-1H-imidazol-2-yl)acetonitrile hydrochloride

$$$$ Data

M. F.

C6H8ClN3

Suppliers	Catalog Number
Enamine	EN300-44955

Database	Data ID
PubChem	23043550

M. W.

157.60082

CAS

Similarity

N/A

ID: 260152

ethyl (2E)-2-cyano-3-[(2,4-dimethoxyphenyl)amino]prop-2-enoate

$$$$ Data

M. F.

C14H16N2O4

Suppliers	Catalog Number
Enamine	EN300-44956

Database	Data ID
PubChem	7961132

M. W.

276.28784

CAS

Similarity

N/A

ID: 260153

ethyl (2Z)-2-cyano-3-{[4-(difluoromethoxy)phenyl]amino}prop-2-enoate

$$$$ Data

M. F.

C13H12F2N2O3

Suppliers	Catalog Number
Enamine	EN300-44957

Database	Data ID
PubChem	45791508

M. W.

282.2427864

CAS

Similarity

N/A

ID: 260154

tert-butyl N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]carbamate

$$$$ Data

M. F.

C19H27N3O2

Suppliers	Catalog Number
Enamine	EN300-44958

Database	Data ID
PubChem	45791509

M. W.

329.43658

CAS

Similarity

N/A

ID: 260155

methyl[(2-methyl-1,3-thiazol-5-yl)methyl]amine

$$$$ Data

M. F.

C6H10N2S

Suppliers	Catalog Number
Enamine	EN300-44959

Database	Data ID
PubChem	20312952

M. W.

142.222

CAS

Similarity

N/A

ID: 260156

ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
Enamine	EN300-44962

Database	Data ID
PubChem	45791510

M. W.

220.22458

CAS

Similarity

N/A

ID: 260157

4-chloro-6,8-dimethoxyquinoline-3-carbonitrile

$$$$ Data

M. F.

C12H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-44965

Database	Data ID
PubChem	24699040

M. W.

248.66506

CAS

Similarity

N/A

ID: 260158

4-chloro-6-(difluoromethoxy)quinoline-3-carbonitrile

$$$$ Data

M. F.

C11H5ClF2N2O

Suppliers	Catalog Number
Enamine	EN300-44966

Database	Data ID
PubChem	24694070

M. W.

254.6200064

CAS

Similarity

N/A

ID: 260159

4-(4-bromobenzamido)benzoic acid

$$$$ Data

M. F.

C14H10BrNO3

Suppliers	Catalog Number
Enamine	EN300-44967

Database	Data ID
PubChem	754316

M. W.

320.1381

CAS

Similarity

N/A

ID: 260160

N-(4-methylpyridin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C12H17N3O

Suppliers	Catalog Number
Enamine	EN300-44968

Database	Data ID
PubChem	26790864

M. W.

219.28288

CAS

865078-92-8

Similarity

N/A

ID: 260161

4-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]piperidine hydrochloride

$$$$ Data

M. F.

C15H22ClNO2

Suppliers	Catalog Number
Enamine	EN300-44969

Database	Data ID
PubChem	45791511

M. W.

283.79368

CAS

Similarity

N/A

ID: 260162

2-[(4-chlorophenyl)amino]acetic acid

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
ChemBridge	5368059
Enamine	EN300-44970

Database	Data ID
PubChem	230717

M. W.

185.60762

CAS

5465-90-7

Similarity

N/A

ID: 260163

5,6-dichloro-N-cyclopentylpyridine-3-carboxamide

$$$$ Data

M. F.

C11H12Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-44971

Database	Data ID
PubChem	20112764

M. W.

259.13178

CAS

Similarity

N/A

ID: 260164

4-(2-bromophenoxymethyl)benzoic acid

$$$$ Data

M. F.

C14H11BrO3

Suppliers	Catalog Number
Enamine	EN300-44972

Database	Data ID
PubChem	585015

M. W.

307.13934

CAS

Similarity

N/A

ID: 260165

N-(3-methylpyridin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C12H17N3O

Suppliers	Catalog Number
Enamine	EN300-44973

Database	Data ID
PubChem	23577297

M. W.

219.28288

CAS

Similarity

N/A

ID: 260166

[4-(pyridin-2-ylmethoxy)phenyl]methanamine

$$$$ Data

M. F.

C13H14N2O

Suppliers	Catalog Number
Enamine	EN300-44974

Database	Data ID
PubChem	16771797

M. W.

214.26306

CAS

Similarity

N/A

ID: 260167

N-(5-methylpyridin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C12H17N3O

Suppliers	Catalog Number
Enamine	EN300-44976

Database	Data ID
PubChem	28376356

M. W.

219.28288

CAS

110105-97-0

Similarity

N/A

ID: 260168

N-(6-methylpyridin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C12H17N3O

Suppliers	Catalog Number
Enamine	EN300-44977

Database	Data ID
PubChem	22690147

M. W.

219.28288

CAS

110105-99-2

Similarity

N/A

ID: 260169

methyl 4-[(phenoxycarbonyl)amino]benzoate

$$$$ Data

M. F.

C15H13NO4

Suppliers	Catalog Number
Enamine	EN300-44980

Database	Data ID
PubChem	10869391

M. W.

271.26802

CAS

Similarity

N/A

ID: 260170

1-[(4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Enamine	EN300-44984

Database	Data ID
PubChem	5143238

M. W.

234.2081

CAS

Similarity

N/A

ID: 260171

2-(2,5-dimethyl-1H-pyrrol-1-yl)acetic acid

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
ChemBridge	4012636
Enamine	EN300-44985

Database	Data ID
PubChem	14836145

M. W.

153.17844

CAS

109960-17-0

Similarity

N/A

ID: 260172

2-methyl-3-oxopentanenitrile

$$$$ Data

M. F.

C6H9NO

Suppliers	Catalog Number
Enamine	EN300-44987

Database	Data ID
PubChem	12871376

M. W.

111.14176

CAS

Similarity

N/A

ID: 260173

2-methyl-3-oxobutanenitrile

$$$$ Data

M. F.

C5H7NO

Suppliers	Catalog Number
Enamine	EN300-44988

Database	Data ID
PubChem	536905

M. W.

97.11518

CAS

Similarity

N/A

ID: 260174

2-(3,4-difluorophenyl)-2-(ethylamino)acetamide

$$$$ Data

M. F.

C10H12F2N2O

Suppliers	Catalog Number
Enamine	EN300-44989

Database	Data ID
PubChem	45791512

M. W.

214.2118864

CAS

Similarity

N/A

ID: 260175

2-(4-chlorophenyl)-2-(methylamino)acetamide

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-44990

Database	Data ID
PubChem	12496934

M. W.

198.64944

CAS

Similarity

N/A

ID: 260176

5-carbamoylpyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H6N2O3

Suppliers	Catalog Number
Enamine	EN300-44993

Database	Data ID
PubChem	336682

M. W.

166.13414

CAS

Similarity

N/A

ID: 260177

ethyl 5-oxo-1,4-diazepane-1-carboxylate

$$$$ Data

M. F.

C8H14N2O3

Suppliers	Catalog Number
Enamine	EN300-44996

Database	Data ID
PubChem	15062867

M. W.

186.20836

CAS

Similarity

N/A

ID: 260178

2-(1H-imidazol-1-yl)-1-[3-(trifluoromethyl)phenyl]ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C12H14Cl2F3N3

Suppliers	Catalog Number
Enamine	EN300-44998

Database	Data ID
PubChem	45791513

M. W.

328.1608696

CAS

Similarity

N/A

ID: 260179

6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydrochloride

$$$$ Data

M. F.

C9H15ClN2S

Suppliers	Catalog Number
Enamine	EN300-45000

Database	Data ID
PubChem	45791514

M. W.

218.7468

CAS

Similarity

N/A

ID: 260180

N-(2-fluorophenyl)-2-{[(2-fluorophenyl)methyl]amino}acetamide hydrochloride

$$$$ Data

M. F.

C15H15ClF2N2O

Suppliers	Catalog Number
Enamine	EN300-45001

Database	Data ID
PubChem	45791515

M. W.

312.7422064

CAS

Similarity

N/A

ID: 260181

3-[(1,3-thiazol-2-yl)amino]propanoic acid

$$$$ Data

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-45002

Database	Data ID
PubChem	10559109

M. W.

172.20492

CAS

Similarity

N/A

ID: 260182

2-[2-(4-bromophenyl)acetamido]benzoic acid

$$$$ Data

M. F.

C15H12BrNO3

Suppliers	Catalog Number
Enamine	EN300-45003

Database	Data ID
PubChem	2973978

M. W.

334.16468

CAS

Similarity

N/A

ID: 260183

2-(3,4-difluorophenyl)-2-(ethylamino)acetic acid

$$$$ Data

M. F.

C10H11F2NO2

Suppliers	Catalog Number
Enamine	EN300-45005

Database	Data ID
PubChem	43753908

M. W.

215.1966464

CAS

Similarity

N/A

ID: 260184

5-amino-1-propyl-1,2-dihydropyridin-2-one hydrochloride

$$$$ Data

M. F.

C8H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-45006

Database	Data ID
PubChem	45791516

M. W.

188.65462

CAS

Similarity

N/A

ID: 260185

3-[(benzylamino)methyl]benzamide hydrochloride

$$$$ Data

M. F.

C15H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-45007

Database	Data ID
PubChem	45791517

M. W.

276.76128

CAS

Similarity

N/A

ID: 260186

(2-aminoethoxy)cyclopentane hydrochloride

$$$$ Data

M. F.

C7H16ClNO

Suppliers	Catalog Number
Enamine	EN300-45008

Database	Data ID
PubChem	45791518

M. W.

165.66104

CAS

Similarity

N/A

ID: 260187

1-(2-bromophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C13H12BrNO2

Suppliers	Catalog Number
Enamine	EN300-45009

Database	Data ID
PubChem	16228588

M. W.

294.14388

CAS

Similarity

N/A

ID: 260188

1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C13H12BrNO2

Suppliers	Catalog Number
Enamine	EN300-45010

Database	Data ID
PubChem	16228552

M. W.

294.14388

CAS

Similarity

N/A

ID: 260189

4-[2-(dimethylamino)ethoxy]-3-methoxybenzonitrile hydrochloride

$$$$ Data

M. F.

C12H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-45011

Database	Data ID
PubChem	45791519

M. W.

256.72858

CAS

Similarity

N/A

ID: 260190

4-chloro-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C12H9ClN4

Suppliers	Catalog Number
Enamine	EN300-45013

Database	Data ID
PubChem	11032125

M. W.

244.67966

CAS

Similarity

N/A

ID: 260191

4-chloro-N-methylbutanamide

$$$$ Data

M. F.

C5H10ClNO

Suppliers	Catalog Number
Enamine	EN300-45015

Database	Data ID
PubChem	3569722

M. W.

135.592

CAS

Similarity

N/A

ID: 260192

1-amino-3-(pyrrolidin-1-yl)propan-2-ol

$$$$ Data

M. F.

C7H16N2O

Suppliers	Catalog Number
ChemBridge	4030562
Enamine	EN300-45016

Database	Data ID
PubChem	12174993

M. W.

144.21474

CAS

39849-47-3

Similarity

N/A

ID: 260193

2-[3-(propan-2-yl)phenoxy]propanoic acid

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Enamine	EN300-45017

Database	Data ID
PubChem	16228010

M. W.

208.25364

CAS

Similarity

N/A

ID: 260194

1-benzyl-1H-pyrazol-3-amine hydrochloride

$$$$ Data

M. F.

C10H12ClN3

Suppliers	Catalog Number
Enamine	EN300-45019

Database	Data ID
PubChem	45791520

M. W.

209.67538

CAS

Similarity

N/A

ID: 260195

methyl 7-chloro-5-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

$$$$ Data

M. F.

C10H11ClN4O2

Suppliers	Catalog Number
Enamine	EN300-45022

Database	Data ID
PubChem	16767691

M. W.

254.67294

CAS

Similarity

N/A

ID: 260196

2-bromo-1-(9H-fluoren-2-yl)ethan-1-one

$$$$ Data

M. F.

C15H11BrO

Suppliers	Catalog Number
Enamine	EN300-45023

Database	Data ID
PubChem	10979047

M. W.

287.15124

CAS

Similarity

N/A

ID: 260197

6-chloro-N-(2-methoxyethyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C9H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-45026

Database	Data ID
PubChem	20113790

M. W.

214.64884

CAS

Similarity

N/A

ID: 260198

2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Enamine	EN300-45028

Database	Data ID
PubChem	16770106

M. W.

176.17202

CAS

Similarity

N/A

ID: 260199

4-chloro-5,8-dimethoxyquinoline-3-carbonitrile

$$$$ Data

M. F.

C12H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-45030

Database	Data ID
PubChem	22466535

M. W.

248.66506

CAS

Similarity

N/A

ID: 260200

ethyl (2Z)-2-cyano-3-[(2,5-dimethoxyphenyl)amino]prop-2-enoate

$$$$ Data

M. F.

C14H16N2O4

Suppliers	Catalog Number
Enamine	EN300-45031

Database	Data ID
PubChem	5424830

M. W.

276.28784

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