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Molecule record

3-propan-2-yl-1H-indole

C11H13N

159.23 g/mol

Loading structure

Molecular properties

Formula
C11H13N
Molar mass
159.23 g·mol−1
Exact mass
159.1048 Da
6
PubChem CID
12534824

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 16886-00-3
  • 1H-Indole, 3-(1-methylethyl)-
  • 1H-Indole,3-(1-methylethyl)-(9CI)
  • 3-(1-Methylethyl)-1H-indole
  • 3-Isopropylindol
  • 3-isopropyl indole
  • 3-isopropyl-1H-indole
  • 3-isopropylindole
Show all 24 synonyms
  • 845-527-4
  • AKOS027399990
  • AS-76709
  • CS-0163316
  • D94911
  • EN300-184005
  • MFCD18809041
  • RAA88600
  • RefChem:495965
  • SCHEMBL16760105
  • SCHEMBL255420
  • SCHEMBL30626309
  • SCHEMBL3750598
  • SCHEMBL7372877
  • SY164790
  • ZFDQHODXVZRPFG-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
CC(C)c1c[nH]c2ccccc12
Isomeric SMILES
CC(C)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C11H13N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3
InChIKey
ZFDQHODXVZRPFG-UHFFFAOYSA-N
PubChem CID
12534824

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 3-propan-2-yl-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-propan-2-yl-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