chempirical

3-Acetylindole

C10H9NOCAS 703-80-0159.19 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
192.3 °C
logP
2.37Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
703-80-0
SMILES
CC(=O)c1c[nH]c2ccccc12
InChIKey
VUIMBZIZZFSQEE-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 1-(1H-indol-3-yl)-
  • Ketone, indol-3-yl methyl
  • 1-(1H-Indol-3-yl)ethanone
  • 3-Acetyl-1H-indole
  • 3-Indolyl methyl ketone
  • NSC 47180
  • NSC 58084
  • 1-(1H-Indol-3-yl)ethan-1-one

Work with 3-Acetylindole

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

Bisindolylmaleimide V113963-68-155 % similar Indole-3-glyoxylic acid1477-49-254 % similar α-Oxo-1H-indole-3-acetyl chloride22980-09-254 % similar Ethyl indole-3-carboxylate776-41-054 % similar 3-Naphthoylindole109555-87-553 % similar 1,2-Diacetylbenzene704-00-752 % similar Indole-3-acetone1201-26-950 % similar Indoxyl acetate608-08-250 % 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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