Pyrrole, 2-pentyl

Substructure search Find similar structures

Basic information

CAS: 1551-12-8
Standard SMILES: CCCCCc1ccc[nH]1
InChIKey: SBEGSTRVXAZUOJ-UHFFFAOYSA-N
Molecular formula: C9H15N
Average molar mass: 137.22 g/mol
Monoisotopic mass: 137.12044948

Names & identifiers

Preferred name: Pyrrole, 2-pentyl
IUPAC: 2-pentyl-1H-pyrrole

Names & synonyms

Pyrrole, 2-pentyl2-pentyl-1H-pyrrole2-pentylpyrrole1H-Pyrrole, 2-pentyl1551-12-8SCHEMBL214012SCHEMBL1864434SCHEMBL1864437SCHEMBL4687381SCHEMBL6687128SCHEMBL6762201SBEGSTRVXAZUOJ-UHFFFAOYSA-N

Show more names

DTXSID401020825AKOS006350531Q22030050

Database identifiers

CAS: 1551-12-8
PubChem CID: 529065
DTXSID: DTXSID401020825
Nikkaji: J788.786H

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 80.8

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…