Chembase list of 866358 unique molecular structures

methyl 2-(1-methylpiperidin-4-ylidene)acetate

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Enamine	EN300-77950

Database	Data ID
PubChem	20672702

M. W.

169.2209

CAS

Similarity

N/A

ID: 275152

2,2-dimethyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine dihydrochloride

$$$$ Data

M. F.

C9H19Cl2N3

Suppliers	Catalog Number
Enamine	EN300-77951

Database	Data ID
PubChem	54593542

M. W.

240.17326

CAS

Similarity

N/A

ID: 275153

1-(4-methylphenyl)pyrrolidin-3-amine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Enamine	EN300-77955

Database	Data ID
PubChem	43315500

M. W.

176.25814

CAS

Similarity

N/A

ID: 275154

(3-methyl-1-benzofuran-2-yl)methanol

$$$$ Data

M. F.

C10H10O2

Suppliers	Catalog Number
Enamine	EN300-77956

Database	Data ID
PubChem	10241108

M. W.

162.1852

CAS

Similarity

N/A

ID: 275155

3-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Enamine	EN300-77957

Database	Data ID
PubChem	43150992

M. W.

178.1846

CAS

Similarity

N/A

ID: 275156

3-[4-(4-bromo-1H-pyrazol-1-yl)-3-fluorophenyl]prop-2-enoic acid

$$$$ Data

M. F.

C12H8BrFN2O2

Suppliers	Catalog Number
Enamine	EN300-77958

Database	Data ID
PubChem	54593543

M. W.

311.1065232

CAS

Similarity

N/A

ID: 275157

3-bromo-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one

$$$$ Data

M. F.

C9H12BrN3O

Suppliers	Catalog Number
Enamine	EN300-77959

Database	Data ID
PubChem	54593544

M. W.

258.11508

CAS

Similarity

N/A

ID: 275158

3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one

$$$$ Data

M. F.

C9H14N4O

Suppliers	Catalog Number
Enamine	EN300-77960

Database	Data ID
PubChem	54593545

M. W.

194.23366

CAS

Similarity

N/A

ID: 275159

5-cyano-2-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-77961

Database	Data ID
PubChem	54593546

M. W.

196.22632

CAS

Similarity

N/A

ID: 275160

3-(4-bromophenoxy)propan-1-ol

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Enamine	EN300-77962

Database	Data ID
PubChem	18761018

M. W.

231.08644

CAS

Similarity

N/A

ID: 275161

1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine

$$$$ Data

M. F.

C9H16N4

Suppliers	Catalog Number
Enamine	EN300-77963

Database	Data ID
PubChem	54593547

M. W.

180.25014

CAS

Similarity

N/A

ID: 275162

3-(2-bromophenoxy)propan-1-ol

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Enamine	EN300-77964

Database	Data ID
PubChem	28351716

M. W.

231.08644

CAS

Similarity

N/A

ID: 275163

(3-methyl-1-benzofuran-2-yl)methanamine

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
ChemBridge	4041189
Enamine	EN300-77966

Database	Data ID
PubChem	21042706

M. W.

161.20044

CAS

3782-23-8

Similarity

N/A

ID: 275164

3-(4-cyanophenoxymethyl)benzoic acid

$$$$ Data

M. F.

C15H11NO3

Suppliers	Catalog Number
Enamine	EN300-77967

Database	Data ID
PubChem	21300471

M. W.

253.25274

CAS

Similarity

N/A

ID: 275165

2-methyl-2-(piperazin-1-yl)propan-1-ol dihydrochloride

$$$$ Data

M. F.

C8H20Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-77971

Database	Data ID
PubChem	54593548

M. W.

231.1632

CAS

Similarity

N/A

ID: 275166

1-[(2-chlorophenyl)methyl]-1H-imidazol-2-amine hydrochloride

$$$$ Data

M. F.

C10H11Cl2N3

Suppliers	Catalog Number
Enamine	EN300-77972

Database	Data ID
PubChem	54593549

M. W.

244.12044

CAS

Similarity

N/A

ID: 275167

1-(2-chlorophenyl)-2-methylpropan-1-amine

$$$$ Data

M. F.

C10H14ClN

Suppliers	Catalog Number
Enamine	EN300-77973

Database	Data ID
PubChem	54593551

M. W.

183.67786

CAS

Similarity

N/A

ID: 275168

3-(3-bromophenoxy)propan-1-ol

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Enamine	EN300-77974

Database	Data ID
PubChem	13314228

M. W.

231.08644

CAS

Similarity

N/A

ID: 275169

2-amino-2-cyclohexylpropanenitrile

$$$$ Data

M. F.

C9H16N2

Suppliers	Catalog Number
Enamine	EN300-77975

Database	Data ID
PubChem	20294934

M. W.

152.23674

CAS

Similarity

N/A

ID: 275170

1-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C11H8F3NO2

Suppliers	Catalog Number
Enamine	EN300-77979

Database	Data ID
PubChem	54593552

M. W.

243.1819296

CAS

Similarity

N/A

ID: 275171

5-(trifluoromethyl)-2,3-dihydro-1-benzothiophene-2-carboxylic acid

$$$$ Data

M. F.

C10H7F3O2S

Suppliers	Catalog Number
Enamine	EN300-77980

Database	Data ID
PubChem	54593553

M. W.

248.2215896

CAS

Similarity

N/A

ID: 275172

3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride

$$$$ Data

M. F.

C6H13ClN2

Suppliers	Catalog Number
Enamine	EN300-77981

Database	Data ID
PubChem	12778910

M. W.

148.63382

CAS

Similarity

N/A

ID: 275173

7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

$$$$ Data

M. F.

C5H4ClN5

Suppliers	Catalog Number
Enamine	EN300-77983

Database	Data ID
PubChem	54593554

M. W.

169.57176

CAS

Similarity

N/A

ID: 275174

thieno[3,2-b]pyridine-6-carbaldehyde

$$$$ Data

M. F.

C8H5NOS

Suppliers	Catalog Number
Enamine	EN300-77984

Database	Data ID
PubChem	14025919

M. W.

163.1964

CAS

Similarity

N/A

ID: 275175

thieno[3,2-b]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C8H5NO2S

Suppliers	Catalog Number
Enamine	EN300-77986

Database	Data ID
PubChem	14025922

M. W.

179.1958

CAS

Similarity

N/A

ID: 275176

thieno[3,2-b]pyridin-6-amine

$$$$ Data

M. F.

C7H6N2S

Suppliers	Catalog Number
Enamine	EN300-77987

Database	Data ID
PubChem	20148553

M. W.

150.20094

CAS

Similarity

N/A

ID: 275177

thieno[3,2-b]pyridin-6-ylmethanamine

$$$$ Data

M. F.

C8H8N2S

Suppliers	Catalog Number
Enamine	EN300-77988

Database	Data ID
PubChem	54593555

M. W.

164.22752

CAS

Similarity

N/A

ID: 275178

thieno[3,2-b]pyridine-6-sulfonyl chloride

$$$$ Data

M. F.

C7H4ClNO2S2

Suppliers	Catalog Number
Enamine	EN300-77989

Database	Data ID
PubChem	54593556

M. W.

233.69516

CAS

Similarity

N/A

ID: 275179

2-{thieno[3,2-b]pyridin-6-yl}ethan-1-ol

$$$$ Data

M. F.

C9H9NOS

Suppliers	Catalog Number
Enamine	EN300-77990

Database	Data ID
PubChem	54593557

M. W.

179.23886

CAS

Similarity

N/A

ID: 275180

3-{thieno[3,2-b]pyridin-6-yl}propan-1-ol

$$$$ Data

M. F.

C10H11NOS

Suppliers	Catalog Number
Enamine	EN300-77991

Database	Data ID
PubChem	54593558

M. W.

193.26544

CAS

Similarity

N/A

ID: 275181

3-bromo-1H,3aH-pyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C6H6BrN3

Suppliers	Catalog Number
Enamine	EN300-77992

Database	Data ID
PubChem	54593559

M. W.

200.03594

CAS

Similarity

N/A

ID: 275182

6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

$$$$ Data

M. F.

C7H5BrClN3O2S

Suppliers	Catalog Number
Enamine	EN300-77993

Database	Data ID
PubChem	54593560

M. W.

310.5555

CAS

Similarity

N/A

ID: 275183

2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

$$$$ Data

M. F.

C7H6ClN3O2S

Suppliers	Catalog Number
Enamine	EN300-77994

Database	Data ID
PubChem	54593561

M. W.

231.65944

CAS

Similarity

N/A

ID: 275184

6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C8H6BrN3O

Suppliers	Catalog Number
Enamine	EN300-77995

Database	Data ID
PubChem	17096149

M. W.

240.05674

CAS

Similarity

N/A

ID: 275185

6-bromopyrazolo[1,5-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C7H4BrN3O

Suppliers	Catalog Number
Enamine	EN300-77996

Database	Data ID
PubChem	54593562

M. W.

226.03016

CAS

Similarity

N/A

ID: 275186

4,5,6,7-tetrahydro-2H-indazol-7-ol

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Enamine	EN300-77998

Database	Data ID
PubChem	54593563

M. W.

138.1671

CAS

Similarity

N/A

ID: 275187

1-(chloromethyl)piperidin-2-one

$$$$ Data

M. F.

C6H10ClNO

Suppliers	Catalog Number
Enamine	EN300-77999

Database	Data ID
PubChem	13098372

M. W.

147.6027

CAS

Similarity

N/A

ID: 275188

methyl 4-bromo-5-(chlorosulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C6H4BrClO4S2

Suppliers	Catalog Number
Enamine	EN300-78000

Database	Data ID
PubChem	54593564

M. W.

319.58056

CAS

Similarity

N/A

ID: 275189

4-bromo-5-(chlorosulfonyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C5H2BrClO4S2

Suppliers	Catalog Number
Enamine	EN300-78001

Database	Data ID
PubChem	54593565

M. W.

305.55398

CAS

Similarity

N/A

ID: 275190

4-bromo-5-(methylsulfanyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C6H5BrO2S2

Suppliers	Catalog Number
Enamine	EN300-78003

Database	Data ID
PubChem	18537167

M. W.

253.1367

CAS

Similarity

N/A

ID: 275191

4-bromo-5-methanesulfonylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C6H5BrO4S2

Suppliers	Catalog Number
Enamine	EN300-78004

Database	Data ID
PubChem	21465631

M. W.

285.1355

CAS

Similarity

N/A

ID: 275192

3-methyl-1,1-dioxo-2H-1λ⁶,7,2,4-thieno[3,2-e][1λ⁶,2,4]th...

$$$$ Data

M. F.

C7H6N2O4S2

Suppliers	Catalog Number
Enamine	EN300-78005

Database	Data ID
PubChem	54593566

M. W.

246.26354

CAS

Similarity

N/A

ID: 275193

4-bromo-5-sulfamoylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C5H4BrNO4S2

Suppliers	Catalog Number
Enamine	EN300-78006

Database	Data ID
PubChem	54593567

M. W.

286.12356

CAS

Similarity

N/A

ID: 275194

4-bromo-5-(methylsulfamoyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C6H6BrNO4S2

Suppliers	Catalog Number
Enamine	EN300-78007

Database	Data ID
PubChem	54593568

M. W.

300.15014

CAS

Similarity

N/A

ID: 275195

4-bromo-5-(dimethylsulfamoyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C7H8BrNO4S2

Suppliers	Catalog Number
Enamine	EN300-78008

Database	Data ID
PubChem	54593569

M. W.

314.17672

CAS

Similarity

N/A

ID: 275196

4-bromo-5-(ethylsulfamoyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C7H8BrNO4S2

Suppliers	Catalog Number
Enamine	EN300-78009

Database	Data ID
PubChem	54593570

M. W.

314.17672

CAS

Similarity

N/A

ID: 275197

5-(4-bromophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H5BrN2O

Suppliers	Catalog Number
Enamine	EN300-78018

Database	Data ID
PubChem	54593571

M. W.

225.0421

CAS

Similarity

N/A

ID: 275198

5-(3-bromophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H5BrN2O

Suppliers	Catalog Number
Enamine	EN300-78019

Database	Data ID
PubChem	54593572

M. W.

225.0421

CAS

Similarity

N/A

ID: 275199

2-(3-bromophenyl)-1H-1,3-benzodiazole-5-sulfonyl chloride

$$$$ Data

M. F.

C13H8BrClN2O2S

Suppliers	Catalog Number
Enamine	EN300-78020

Database	Data ID
PubChem	54593573

M. W.

371.63682

CAS

Similarity

N/A

ID: 275200

2-(4-bromophenyl)-1H-1,3-benzodiazole-5-sulfonyl chloride

$$$$ Data

M. F.

C13H8BrClN2O2S

Suppliers	Catalog Number
Enamine	EN300-78021

Database	Data ID
PubChem	54593574

M. W.

371.63682

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