Molecular properties
- Formula
- C4H5N
- Molar mass
- 67.09 g·mol−1
- Exact mass
- 67.0422 Da
- 3
- 1
- 0
- 15.80 Ų
- 0.7 (PubChem computed XLogP3-AA descriptor)
- CAS
- 109-97-7
- PubChem CID
- 8027
Molecule record
PYRROLE
C4H5N
67.09 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 | 0.7 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Aza-2,4-cyclopentadiene
- 109-97-7
- 1H-Pyrrole
- 203-724-7
- 86S1ZD6L2C
- Azole
- CHEBI:19203
- CHEBI:26455
Show all 22 synonyms
- CHEBI:35556
- DTXCID201910
- DTXSID5021910
- Divinyleneimine
- Divinylenimine
- FEMA No. 3386
- Imidole
- Monopyrrole
- NSC-62777
- Pyrrol
- Pyrrole 1539
- Pyrrole-15N
- Pyrroles
- RefChem:6188
Structure identifiers
- Canonical SMILES
- C1=CNC=C1
- Isomeric SMILES
- C1=CNC=C1
- InChI
- InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
- InChIKey
- KAESVJOAVNADME-UHFFFAOYSA-N
- PubChem CID
- 8027
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 PYRROLE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for PYRROLE; 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.