chempirical

1-(1H-Indol-5-yl)ethanone

C10H9NOCAS 53330-94-2159.19 g/mol

Open in Covalent MOL file
ONH
Ketone

Properties

Molecular formula
C10H9NO
Molar mass
159.19 g/mol
Exact mass
159.0684 Da
Melting point
94–95 °C
logP
2.37Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
53330-94-2
SMILES
CC(=O)c1ccc2[nH]ccc2c1
InChIKey
GOFIUEUUROFVMA-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanone, 1-(1H-indol-5-yl)-
  • Ketone, indol-5-yl methyl
  • 5-Acetylindole
  • 5-Acetyl-1H-indole
  • 1-(1H-Indol-5-yl)ethan-1-one

Work with 1-(1H-Indol-5-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

1H-Indole-5-carboxylic acid1670-81-160 % similar Methyl indole-5-carboxylate1011-65-059 % similar 5-Methylindole614-96-048 % similar 1,4-Diacetylbenzene1009-61-648 % similar 1,3-Diacetylbenzene6781-42-647 % similar 6-Acetyl-2(3H)-benzothiazolone133044-44-746 % similar 3,4-Dimethylacetophenone3637-01-246 % similar P-Methylacetophenone122-00-945 % 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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