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Molecule record

1-(1H-indol-4-yl)ethanone

C10H9NO

159.19 g/mol

Loading structure

Molecular properties

Formula
C10H9NO
Molar mass
159.19 g·mol−1
Exact mass
159.0684 Da
7
PubChem CID
13004673

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ketone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-(1H-INDOL-4-YL)-ETHANONE
  • 1-(1H-Indol-4-yl)ethan-1-one
  • 4-ACETYLINDOLE
  • 4-Methylester indole, 4
  • 50614-86-3
  • AKOS022715097
  • AS-34094
  • BDBM93043
Show all 21 synonyms
  • CS-0047277
  • DA-05383
  • DTXSID50514829
  • EN300-1856035
  • ETHANONE, 1-(1H-INDOL-4-YL)-
  • Ethanone, 1-(1H-indol-4-yl)- (9CI)
  • F465082
  • MFCD03095177
  • PB23334
  • SCHEMBL29497247
  • SCHEMBL827588
  • SY097691
  • ethanone,1-(1h-indol-4-yl)-

Structure identifiers

Canonical SMILES
CC(=O)c1cccc2[nH]ccc12
Isomeric SMILES
CC(=O)C1=C2C=CNC2=CC=C1
InChI
InChI=1S/C10H9NO/c1-7(12)8-3-2-4-10-9(8)5-6-11-10/h2-6,11H,1H3
InChIKey
RUBNGGWBJUGNNA-UHFFFAOYSA-N
PubChem CID
13004673

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-(1H-indol-4-yl)ethanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-(1H-indol-4-yl)ethanone; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record