Molecular properties
- Formula
- C8H7N
- Molar mass
- 117.15 g·mol−1
- Exact mass
- 117.0578 Da
- 6
- 1
- 0
- 15.80 Ų
- 2.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 120-72-9
- PubChem CID
- 798
Molecule record
indole
C8H7N
117.15 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Amine
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2.1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Azaindene
- 1-Benzazole
- 120-72-9
- 1H-Indole
- 2,3-Benzopyrole
- 2,3-Benzopyrrole
- 204-420-7
- 8724FJW4M5
Show all 23 synonyms
- Benzopyrrole
- CHEBI:16881
- CHEBI:22728
- CHEBI:35581
- Caswell No. 498B
- DTXCID40737
- DTXSID0020737
- FEMA No. 2593
- Indol
- Indol [German]
- Indole (natural)
- Indole, 3-Benzopyrrole, 1-benzazole
- Ketole
- NSC-1964
- RefChem:5904
Structure identifiers
- Canonical SMILES
- C1=CC=C2C(=C1)C=CN2
- Isomeric SMILES
- C1=CC=C2C(=C1)C=CN2
- InChI
- InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
- InChIKey
- SIKJAQJRHWYJAI-UHFFFAOYSA-N
- PubChem CID
- 798
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for indole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for indole; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.