chempirical

1-(1H-Indol-1-yl)ethanone

C10H9NOCAS 576-15-8159.19 g/mol

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Properties

Molecular formula
C10H9NO
Molar mass
159.19 g/mol
Exact mass
159.0684 Da
Density
1.387 g/mL (at 20 °C)
Melting point
189 °C
Boiling point
135 °C (at NaN Torr)
logP
2.30Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
576-15-8
SMILES
CC(=O)n1ccc2ccccc21
InChIKey
UUCUQJHYUPXDHN-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-(1H-indol-1-yl)-
  • Indole, 1-acetyl-
  • 1H-Indole, 1-acetyl-
  • N-Acetylindole
  • 1-Acetylindole
  • NSC 521758
  • 1-(1H-Indol-1-yl)ethan-1-one

Work with 1-(1H-Indol-1-yl)ethanone

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-(3-Hydroxy-1H-indol-1-yl)ethanone33025-60-447 % similar 1,1′-(1H-Indole-1,3-diyl)bis[ethanone]17537-64-346 % similar 1-Acetylindole-3-carboxaldehyde22948-94-346 % similar 1H-Indole-1-acetic acid24297-59-441 % similar 3-Acetyl-2(3H)-benzoxazolone24963-28-840 % similar 1-Methyl-2(1H)-quinolinone606-43-939 % similar 1-Methyl-1H-indole-2-carboxylic acid16136-58-634 % similar N-Acetyl-5-bromo-3-hydroxyindole114165-30-933 % similar

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

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Amino-2-naphthol2834-92-6 4-Methoxycinnamonitrile28446-68-6 α-Acetylbenzeneacetonitrile4468-48-8

Elsewhere

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