chempirical

2-Acetyl-1-methylpyrrole

C7H9NOCAS 932-16-1123.15 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C7H9NO
Molar mass
123.15 g/mol
Exact mass
123.0684 Da
Density
1.0445 g/mL (at 15 °C)
Boiling point
199–201 °C (at 739 Torr)
logP
1.23Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
932-16-1
SMILES
CC(=O)c1cccn1C
InChIKey
NZFLWVDXYUGFAV-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)-
  • Ketone, methyl 1-methylpyrrol-2-yl
  • 1-(1-Methyl-1H-pyrrol-2-yl)ethanone
  • N-Methyl-2-acetylpyrrole
  • 1-Methyl-2-acetylpyrrole
  • 2-Acetyl-N-methylpyrrole
  • N-Methyl-2-pyrrolylethanone
  • NSC 87239
  • 1-(1-Methyl-1H-pyrrol-2-yl)ethan-1-one
  • N-Methyl-5-acetylpyrrole
  • 1-(1-Methylpyrrol-2-yl)ethanone

Work with 2-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-Methyl-1H-pyrrole-2-carboxylic acid6973-60-058 % similar 1-(1-Ethyl-1H-pyrrol-2-yl)ethanone39741-41-855 % similar 1,2-Diacetylbenzene704-00-741 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-141 % similar Acetophenone98-86-240 % similar Methyl N-methyl-2-pyrrolylacetate51856-79-239 % similar 1,3-Diacetylbenzene6781-42-639 % similar 2,6-Diacetylpyridine1129-30-238 % 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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