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Molecule record

1H-indole-5-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
27513

Functional groups

Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 15861-24-2
  • 239-986-4
  • 5-Cyano indole
  • 5-Cyano-1H-indole
  • 5-Cyanoindole
  • 5-Indolecarbonitrile
  • 91201-84-2
  • A3327A31-2A0C-4860-8157-F2773DE25B9E
Show all 24 synonyms
  • AB01331743-02
  • AKOS005206715
  • BP-10151
  • CHEMBL294926
  • DTXCID5088968
  • DTXSID40166477
  • EINECS 239-986-4
  • HY-77057
  • INDOLE-5-CARBONITRILE
  • InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11
  • MFCD00005669
  • RefChem:148203
  • SB20070
  • SY006206
  • YHYLDEVWYOFIJK-UHFFFAOYSA-N
  • indol-5-carbonitrile

Structure identifiers

Canonical SMILES
N#Cc1ccc2[nH]ccc2c1
Isomeric SMILES
C1=CC2=C(C=CN2)C=C1C#N
InChI
InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
InChIKey
YHYLDEVWYOFIJK-UHFFFAOYSA-N
PubChem CID
27513

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-5-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1H-indole-5-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