3,4-Dihydro-2H-pyrrole 

AlkaPlorer ID: AK295947

Synonym: 1-Pyrroline, FEMA 3898

IUPAC Name: 3,4-dihydro-2H-pyrrol-1-ium

Structure

SMILES: C1=[NH+]CCC1

copy

InChI: InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2/p+1

copy

InChIKey: ZVJHJDDKYZXRJI-UHFFFAOYSA-O

copy

Reference

PubChem CID: 11966285

CAS: 5724-81-2

SuperNatural Ⅲ: SN0481259

NPASS: NPC320466

Properties Information

Molecule Weight: 70.115

TPSA: 13.97

MolLogP: -1.0684

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001582 C1=NCCC1.NCCCN>>NCCC/C=N/CCCN MNXR103563
AKRT001583 C1=NCCC1.Nc1ccccc1C(=O)O>>O[C@@H]1CCN2Cc3ccccc3N=C12 R08477
AKRT001584 C1=NCCC1>>NCCCC(=O)O 1.5.1.35-RXN
AKRT017883 NCCCC(=O)O>>C1=NCCC1 1.5.1.35-RXN
AKRT017897 NCCCC=O>>C1=NCCC1 RXN-6423
AKRT017983 NCCCCN>>C1=NCCC1 33247
AKRT018019 NCCCCNCCCN>>C1=NCCC1 33287