3-Acetyl-1-methylpyrrole

C₇H₉NOCAS 932-62-7123.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉NO
Molar mass: 123.15 g/mol
Exact mass: 123.0684 Da
logP: 1.23Crippen estimate
Polar surface area: 22.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

932-62-7

SMILES

CC(=O)C1=CN(C=C1)C

InChIKey

SZYIVZGXCXFXDN-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3

Weigh it out

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Work with 3-Acetyl-1-methylpyrrole

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

1,4-Diacetylbenzene1009-61-650 % similar 3-Acetyl-1-(phenylsulfonyl)pyrrole81453-98-750 % similar 4,4'-Diacetylbiphenyl787-69-945 % similar Acetophenone98-86-245 % similar 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-844 % similar 1,3-Diacetylbenzene6781-42-643 % similar Acetanisole100-06-142 % similar 4-Acetylpyridine1122-54-942 % similar

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

Same formula

2-Methoxy-4-methylpyridine100848-70-2 (5-Methylpyridin-3-yl)methanol102074-19-1 2-Pyridineethanol103-74-2 P-Anisidine104-94-9 2,6-Dimethylpyridine N-oxide1073-23-0 2,6-Dimethyl-3-pyridinol1122-43-6 6-Methyl-2-pyridinemethanol1122-71-0 2-Methoxy-5-picoline13472-56-5

Elsewhere

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