N-(4-Acetylphenyl)-2,5-dimethylpyrrole

C₁₄H₁₅NOCAS 83935-45-9213.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₅NO
Molar mass: 213.28 g/mol
Exact mass: 213.1154 Da
Melting point: 112–113 °C
logP: 3.30Crippen estimate
Polar surface area: 22.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

83935-45-9

SMILES

CC(=O)c1ccc(-n2c(C)ccc2C)cc1

InChIKey

QYTWQHUEXYLNLA-UHFFFAOYSA-N

InChI

InChI=1S/C14H15NO/c1-10-4-5-11(2)15(10)14-8-6-13(7-9-14)12(3)16/h4-9H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]ethanone
Ethanone, 1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-
4-(2,5-Dimethylpyrrol-1-yl)acetophenone
1-(4-Acetylphenyl)-2,5-dimethylpyrrole
1-(4-Acetylphenyl)-2,5-dimethyl-1H-pyrrole
1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]ethan-1-one
1-[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-ethanone
1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]ethanone

Work with N-(4-Acetylphenyl)-2,5-dimethylpyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid15898-26-761 % similar 1,4-Diacetylbenzene1009-61-658 % similar P-Methylacetophenone122-00-953 % similar 4,4'-Diacetylbiphenyl787-69-952 % similar 4-Dimethylaminoacetophenone2124-31-448 % similar 3,4-Dimethylacetophenone3637-01-248 % similar 4-Acetyl-4'-methylbiphenyl5748-38-948 % similar 1-[4-(1H-Imidazol-1-yl)phenyl]ethanone10041-06-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Benzyl-4-methoxyaniline17377-95-6 (1R,2S)-2-Amino-1,2-diphenylethanol23190-16-1 (1S,2R)-(+)-2-Amino-1,2-diphenylethanol23364-44-5 4-Methoxy-4'-methyldiphenylamine39253-43-5 4-Methoxy-2-methyl-N-phenylbenzenamine41317-15-1 Dibenzylhydroxylamine621-07-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook