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Molecule record

1H-indole-3-carbonitrile

C9H6N2

142.16 g/mol

Loading structure

Molecular properties

Formula
C9H6N2
Molar mass
142.16 g·mol−1
Exact mass
142.0531 Da
8
PubChem CID
230282

Functional groups

Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 1H-Indole-3-carbonitrile #
  • 1H-Indole-3-carbonitrile; NSC 24935;
  • 1H-indole-3-kohlenitrile
  • 3-Cyanoindole
  • 3-Cyanoindole, 98%
  • 3-Indolecarbonitrile
  • 3-cyano-1H-indole
  • 5457-28-3
Show all 24 synonyms
  • 5VCD2BB2FU
  • 625-994-9
  • 98Z
  • CHEMBL46724
  • DTXCID10233362
  • DTXSID00282208
  • Indole-3-carbonitrile
  • MFCD00022717
  • NSC-24935
  • NSC24935
  • RefChem:438721
  • SCHEMBL1091565
  • SCHEMBL186741
  • SCHEMBL2071356
  • SCHEMBL2300723
  • SCHEMBL797240

Structure identifiers

Canonical SMILES
N#Cc1c[nH]c2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C#N
InChI
InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey
CHIFTAQVXHNVRW-UHFFFAOYSA-N
PubChem CID
230282

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 1H-indole-3-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1H-indole-3-carbonitrile; 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