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Molecule record

1H-indole-4-carbonitrile

C9H6N2

142.16 g/mol

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Molecular properties

Formula
C9H6N2
Molar mass
142.16 g·mol−1
Exact mass
142.0531 Da
8
PubChem CID
3817602

Functional groups

Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 16136-52-0
  • 4-Cyano indole
  • 4-Cyanoindole
  • 4-Cyanoindole, 97%
  • 4-Indolecarbonitrile
  • 627-196-6
  • AC-7408
  • C-8800
Show all 24 synonyms
  • C2083
  • CEUFGDDOMXCXFW-UHFFFAOYSA-
  • CS-W007669
  • DTXCID70347696
  • DTXSID80396837
  • EN300-116586
  • F8880-2243
  • MFCD00152045
  • PS-5557
  • RefChem:522246
  • SCHEMBL403956
  • SCHEMBL9739721
  • STK501410
  • SY006074
  • indole-4-carbonitrile
  • orb2939997

Structure identifiers

Canonical SMILES
N#Cc1cccc2[nH]ccc12
Isomeric SMILES
C1=CC(=C2C=CNC2=C1)C#N
InChI
InChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H
InChIKey
CEUFGDDOMXCXFW-UHFFFAOYSA-N
PubChem CID
3817602

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-4-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1H-indole-4-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