hexahydro-1H-pyrrolizine

• ChemBase ID: 129204
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: N12CCCC1CCC2
• Canonical SMILES: C1CN2C(C1)CCC2
• InChI: InChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2
• InChIKey: ADRDEXBBJTUCND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-1H-pyrrolizine
• IUPAC Traditional name: pyrrolizidine
• Synonyms: Hexahydropyrrolizine; Pyrrolizidine

Database IDs

• CAS Number: 643-20-9
• PubChem SID: 162223501
• PubChem CID: 12558
• Chemspider ID: 12039
• Wikipedia Title: Pyrrolizidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.43522
• LogD (pH = 7.4): -2.1719048
• Log P: 1.0615314
• Molar Refractivity: 34.7403 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true