7-azabicyclo[4.2.0]octane

• ChemBase ID: 282380
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: N1C2C(C1)CCCC2
• Canonical SMILES: C1CCC2C(C1)NC2
• InChI: InChI=1S/C7H13N/c1-2-4-7-6(3-1)5-8-7/h6-8H,1-5H2
• InChIKey: OQDPEXFDRKDVPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-azabicyclo[4.2.0]octane
• IUPAC Traditional name: 7-azabicyclo[4.2.0]octane
• Synonyms: 7-azabicyclo[4.2.0]octane

Database IDs

• MDL Number: MFCD11204150
• PubChem SID: 180667911
• PubChem CID: 20521860

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1435056
• LogD (pH = 7.4): -1.9222522
• Log P: 1.09482
• Molar Refractivity: 33.7478 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.249

Product Information

• Purity: 95%