Chembase list of 866358 unique molecular structures

methyl 3-(6-methylpyridazin-3-yl)prop-2-ynoate

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Enamine	EN300-80934

Database	Data ID
PubChem	54594417

M. W.

176.17202

CAS

Similarity

N/A

ID: 276902

3-(pyridin-2-yl)-4,5-dihydro-1,2,4-oxadiazole-5-thione

$$$$ Data

M. F.

C7H5N3OS

Suppliers	Catalog Number
Enamine	EN300-80936

Database	Data ID
PubChem	54594418

M. W.

179.1991

CAS

Similarity

N/A

ID: 276903

1-(3-sulfanylphenyl)ethan-1-one

$$$$ Data

M. F.

C8H8OS

Suppliers	Catalog Number
Enamine	EN300-80937

Database	Data ID
PubChem	4713207

M. W.

152.21352

CAS

Similarity

N/A

ID: 276904

methyl 2-(phenylamino)acetate hydrochloride

$$$$ Data

M. F.

C9H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-80938

Database	Data ID
PubChem	12241365

M. W.

201.65008

CAS

Similarity

N/A

ID: 276905

2,4-difluoro-6-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H5ClF2O3S

Suppliers	Catalog Number
Enamine	EN300-80939

Database	Data ID
PubChem	54594419

M. W.

242.6276064

CAS

Similarity

N/A

ID: 276906

2,3-dimethyl-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C6H13NO2S

Suppliers	Catalog Number
Enamine	EN300-80940

Database	Data ID
PubChem	53619942

M. W.

163.23792

CAS

Similarity

N/A

ID: 276907

methyl 5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C7H9ClN2O2

Suppliers	Catalog Number
Enamine	EN300-80941

Database	Data ID
PubChem	1474962

M. W.

188.61156

CAS

Similarity

N/A

ID: 276908

4-(1-chloroethyl)-1,2-difluorobenzene

$$$$ Data

M. F.

C8H7ClF2

Suppliers	Catalog Number
Enamine	EN300-80942

Database	Data ID
PubChem	21933945

M. W.

176.5909864

CAS

Similarity

N/A

ID: 276909

dimethyl({2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine

$$$$ Data

M. F.

C16H26BNO3

Suppliers	Catalog Number
Enamine	EN300-80943

Database	Data ID
PubChem	54594420

M. W.

291.19354

CAS

Similarity

N/A

ID: 276910

methyl 6-amino-4-(propan-2-yl)hexanoate

$$$$ Data

M. F.

C10H21NO2

Suppliers	Catalog Number
Enamine	EN300-80944

Database	Data ID
PubChem	54594421

M. W.

187.27924

CAS

Similarity

N/A

ID: 276911

methyl 6-amino-4-ethylhexanoate

$$$$ Data

M. F.

C9H19NO2

Suppliers	Catalog Number
Enamine	EN300-80945

Database	Data ID
PubChem	54594422

M. W.

173.25266

CAS

Similarity

N/A

ID: 276912

methyl 6-amino-4-methylhexanoate

$$$$ Data

M. F.

C8H17NO2

Suppliers	Catalog Number
Enamine	EN300-80946

Database	Data ID
PubChem	13633395

M. W.

159.22608

CAS

Similarity

N/A

ID: 276913

6-amino-4-ethylhexanamide

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Enamine	EN300-80947

Database	Data ID
PubChem	54594423

M. W.

158.24132

CAS

Similarity

N/A

ID: 276914

4-(2-aminoethyl)heptanamide

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Enamine	EN300-80948

Database	Data ID
PubChem	54594424

M. W.

172.2679

CAS

Similarity

N/A

ID: 276915

6-amino-4-methylhexanamide

$$$$ Data

M. F.

C7H16N2O

Suppliers	Catalog Number
Enamine	EN300-80949

Database	Data ID
PubChem	54594425

M. W.

144.21474

CAS

Similarity

N/A

ID: 276916

6-aminoheptanamide

$$$$ Data

M. F.

C7H16N2O

Suppliers	Catalog Number
Enamine	EN300-80951

Database	Data ID
PubChem	54178567

M. W.

144.21474

CAS

Similarity

N/A

ID: 276917

methyl 6-aminoheptanoate

$$$$ Data

M. F.

C8H17NO2

Suppliers	Catalog Number
Enamine	EN300-80952

Database	Data ID
PubChem	13633396

M. W.

159.22608

CAS

Similarity

N/A

ID: 276918

2-(5-chloro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylacetamide

$$$$ Data

M. F.

C12H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-80955

Database	Data ID
PubChem	54594426

M. W.

238.7133

CAS

Similarity

N/A

ID: 276919

2-cyclopropylpyrrolidine

$$$$ Data

M. F.

C7H13N

Suppliers	Catalog Number
Enamine	EN300-80957

Database	Data ID
PubChem	18070899

M. W.

111.18482

CAS

Similarity

N/A

ID: 276920

1H,5H-pyrido[2,3-d]pyridazin-5-one

$$$$ Data

M. F.

C7H5N3O

Suppliers	Catalog Number
Enamine	EN300-80961

Database	Data ID
PubChem	19700761

M. W.

147.1341

CAS

Similarity

N/A

ID: 276921

7H,8H-pyrido[2,3-d]pyridazin-8-one

$$$$ Data

M. F.

C7H5N3O

Suppliers	Catalog Number
Enamine	EN300-80962

Database	Data ID
PubChem	15258783

M. W.

147.1341

CAS

Similarity

N/A

ID: 276922

3-(1,3-thiazol-2-yloxy)benzoic acid

$$$$ Data

M. F.

C10H7NO3S

Suppliers	Catalog Number
Enamine	EN300-80966

Database	Data ID
PubChem	54594427

M. W.

221.23248

CAS

Similarity

N/A

ID: 276923

N-(3-bromophenyl)prop-2-enamide

$$$$ Data

M. F.

C9H8BrNO

Suppliers	Catalog Number
Enamine	EN300-80967

Database	Data ID
PubChem	21657832

M. W.

226.06992

CAS

Similarity

N/A

ID: 276924

ethyl 2-amino-2,3-dimethylbutanoate hydrochloride

$$$$ Data

M. F.

C8H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-80969

Database	Data ID
PubChem	54594428

M. W.

195.68702

CAS

Similarity

N/A

ID: 276925

2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol

$$$$ Data

M. F.

C6H11N3O

Suppliers	Catalog Number
Enamine	EN300-80973

Database	Data ID
PubChem	914361

M. W.

141.17104

CAS

Similarity

N/A

ID: 276926

ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

$$$$ Data

M. F.

C19H19NO3

Suppliers	Catalog Number
Enamine	EN300-80974

Database	Data ID
PubChem	628089

M. W.

309.35906

CAS

Similarity

N/A

ID: 276927

1-(3-bromopropyl)naphthalene

$$$$ Data

M. F.

C13H13Br

Suppliers	Catalog Number
Enamine	EN300-80975

Database	Data ID
PubChem	14711519

M. W.

249.14632

CAS

Similarity

N/A

ID: 276928

1-[2-(aminomethyl)butyl]-3-bromobenzene

$$$$ Data

M. F.

C11H16BrN

Suppliers	Catalog Number
Enamine	EN300-80976

Database	Data ID
PubChem	54594430

M. W.

242.15544

CAS

Similarity

N/A

ID: 276929

3-[(diethylamino)methyl]-4-ethoxyaniline

$$$$ Data

M. F.

C13H22N2O

Suppliers	Catalog Number
Enamine	EN300-80977

Database	Data ID
PubChem	12703368

M. W.

222.32658

CAS

Similarity

N/A

ID: 276930

2-[(4-bromophenyl)sulfanyl]-2-methylpropanoic acid

$$$$ Data

M. F.

C10H11BrO2S

Suppliers	Catalog Number
Enamine	EN300-80979

Database	Data ID
PubChem	1502012

M. W.

275.16214

CAS

Similarity

N/A

ID: 276931

2-(1-methyl-1H-pyrazol-4-yl)-2-(propylamino)acetic acid

$$$$ Data

M. F.

C9H15N3O2

Suppliers	Catalog Number
Enamine	EN300-80980

Database	Data ID
PubChem	43753975

M. W.

197.2343

CAS

Similarity

N/A

ID: 276932

2,3-dihydro-1,4-benzodioxin-6-yl(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydro...

$$$$ Data

M. F.

C12H14ClN3O3

Suppliers	Catalog Number
Enamine	EN300-80981

Database	Data ID
PubChem	54594431

M. W.

283.71086

CAS

Similarity

N/A

ID: 276933

4,4-dimethylcyclohexan-1-amine

$$$$ Data

M. F.

C8H17N

Suppliers	Catalog Number
Enamine	EN300-80985

Database	Data ID
PubChem	421054

M. W.

127.22728

CAS

Similarity

N/A

ID: 276934

1-methoxybutan-2-one

$$$$ Data

M. F.

C5H10O2

Suppliers	Catalog Number
Enamine	EN300-80988

Database	Data ID
PubChem	10080345

M. W.

102.1317

CAS

Similarity

N/A

ID: 276935

ethyl 1-benzyl-3-hydroxypyrrolidine-3-carboxylate

$$$$ Data

M. F.

C14H19NO3

Suppliers	Catalog Number
Enamine	EN300-80989

Database	Data ID
PubChem	54594432

M. W.

249.30556

CAS

Similarity

N/A

ID: 276936

3-[(tert-butoxy)carbonyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

$$$$ Data

M. F.

C12H21NO5

Suppliers	Catalog Number
Enamine	EN300-80991

Database	Data ID
PubChem	54594433

M. W.

259.29884

CAS

Similarity

N/A

ID: 276937

4-(2-aminoethyl)-5-cyclopropyl-4H-1,2,4-triazole-3-thiol hydrochloride

$$$$ Data

M. F.

C7H13ClN4S

Suppliers	Catalog Number
Enamine	EN300-80994

Database	Data ID
PubChem	54594434

M. W.

220.72292

CAS

Similarity

N/A

ID: 276938

6-chloro-N-(cyclopropylmethyl)pyrimidin-4-amine

$$$$ Data

M. F.

C8H10ClN3

Suppliers	Catalog Number
Enamine	EN300-80996

Database	Data ID
PubChem	54594436

M. W.

183.6381

CAS

Similarity

N/A

ID: 276939

1-(3-methylphenyl)ethan-1-ol

$$$$ Data

M. F.

C9H12O

Suppliers	Catalog Number
Alfa Aesar	H32784
Enamine	EN300-80998

Database	Data ID
PubChem	110952

M. W.

136.19098

CAS

25675-28-9

Similarity

N/A

ID: 276940

2-methyl-1λ⁴,4-thiomorpholin-1-one

$$$$ Data

M. F.

C5H11NOS

Suppliers	Catalog Number
Enamine	EN300-80999

Database	Data ID
PubChem	20150280

M. W.

133.21194

CAS

Similarity

N/A

ID: 276941

3-cyclopropylpropan-1-amine hydrochloride

$$$$ Data

M. F.

C6H14ClN

Suppliers	Catalog Number
Enamine	EN300-81009

Database	Data ID
PubChem	53414719

M. W.

135.63506

CAS

Similarity

N/A

ID: 276942

4-(2,5-dihydro-1H-pyrrol-1-yl)benzoic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-81016

Database	Data ID
PubChem	53621903

M. W.

189.21054

CAS

Similarity

N/A

ID: 276943

4-(2-nitroethenyl)pyridine; acetic acid

$$$$ Data

M. F.

C9H10N2O4

Suppliers	Catalog Number
Enamine	EN300-81021

Database	Data ID
PubChem	54594437

M. W.

210.1867

CAS

Similarity

N/A

ID: 276944

5,5-dimethylhexan-2-amine

$$$$ Data

M. F.

C8H19N

Suppliers	Catalog Number
Enamine	EN300-81023

Database	Data ID
PubChem	54594438

M. W.

129.24316

CAS

Similarity

N/A

ID: 276945

1-[3-(pyrrolidin-1-yl)propyl]-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Enamine	EN300-81024

Database	Data ID
PubChem	54594439

M. W.

194.27672

CAS

Similarity

N/A

ID: 276946

2-methyl-1-(3-nitro-1H-pyrazol-1-yl)propan-2-ol

$$$$ Data

M. F.

C7H11N3O3

Suppliers	Catalog Number
Enamine	EN300-81025

Database	Data ID
PubChem	54594440

M. W.

185.18054

CAS

Similarity

N/A

ID: 276947

6-methylheptane-2,5-dione

$$$$ Data

M. F.

C8H14O2

Suppliers	Catalog Number
Enamine	EN300-81026

Database	Data ID
PubChem	11298023

M. W.

142.19556

CAS

Similarity

N/A

ID: 276948

1-(oxolan-3-yl)cyclopropan-1-ol

$$$$ Data

M. F.

C7H12O2

Suppliers	Catalog Number
Enamine	EN300-81027

Database	Data ID
PubChem	54594441

M. W.

128.16898

CAS

Similarity

N/A

ID: 276949

2-[(3-fluorophenyl)methoxy]phenol

$$$$ Data

M. F.

C13H11FO2

Suppliers	Catalog Number
Enamine	EN300-81028

Database	Data ID
PubChem	43143462

M. W.

218.2236432

CAS

Similarity

N/A

ID: 276950

3-(3-ethoxy-4-methoxyphenyl)propan-1-amine

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
Enamine	EN300-81029

Database	Data ID
PubChem	17608820

M. W.

209.28476

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