Basic information
- CAS
69311-30-4- Standard SMILES
c1ccc(CC2=NCCC2)cc1- InChIKey
RSOADCLKZJGKCE-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 5-benzyl-3,4-dihydro-2H-pyrrole
- IUPAC
- 5-benzyl-3,4-dihydro-2H-pyrrole
Names & synonyms
5-benzyl-3,4-dihydro-2H-pyrrole69311-30-4DTXSID60279311RefChem:301312DTXCID002304662-Benzyl-1-pyrroline2-benzyl-4,5-dihydro-3H-pyrroleNSC12225SCHEMBL697719RSOADCLKZJGKCE-UHFFFAOYSA-NNSC-12225AKOS006373684
Show more names
DA-37964
Database identifiers
- CAS
69311-30-4- PubChem CID
- 224018
- DTXSID
DTXSID60279311- Nikkaji
- J785.746B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
5 records
Compound notes
Loading…