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Molecule record

4-methyl-1H-indole

C9H9N

131.18 g/mol

Loading structure

Molecular properties

Formula
C9H9N
Molar mass
131.18 g·mol−1
Exact mass
131.0735 Da
6
PubChem CID
85282

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 16096-32-5
  • 1H-Indole, 4-methyl-
  • 240-262-5
  • 3338387XEA
  • 4-Methylindole
  • 4-methyl-indole
  • AB00476
  • AKOS000265516
Show all 24 synonyms
  • DTXCID3089534
  • DTXSID20167043
  • EINECS 240-262-5
  • EN300-39431
  • FT-0602436
  • InChI=1/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H
  • Indole, 4-methyl-
  • M1745
  • MFCD00005668
  • PS-3408
  • PZOUSPYUWWUPPK-UHFFFAOYSA-N
  • Q27256216
  • RefChem:99897
  • SCHEMBL65514
  • SY005776
  • UNII-3338387XEA

Structure identifiers

Canonical SMILES
Cc1cccc2[nH]ccc12
Isomeric SMILES
CC1=C2C=CNC2=CC=C1
InChI
InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
InChIKey
PZOUSPYUWWUPPK-UHFFFAOYSA-N
PubChem CID
85282

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 4-methyl-1H-indole; not experimental data.

Simulated EI mass spectrum

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