1-azabicyclo[3.2.0]heptan-7-one

• ChemBase ID: 126399
• Molecular Formular: C6H9NO
• Molecular Mass: 111.14176
• Monoisotopic Mass: 111.06841391
• SMILES: O=C1N2C(C1)CCC2
• Canonical SMILES: O=C1CC2N1CCC2
• InChI: InChI=1S/C6H9NO/c8-6-4-5-2-1-3-7(5)6/h5H,1-4H2
• InChIKey: INAHHIFQCVEWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azabicyclo[3.2.0]heptan-7-one
• IUPAC Traditional name: 1-azabicyclo[3.2.0]heptan-7-one
• Synonyms: Carbapenam

Database IDs

• CAS Number: 23806-36-2
• PubChem SID: 162220733
• PubChem CID: 549337
• Chemspider ID: 477976
• Wikipedia Title: Carbapenam

CALCULATED PROPERTIES

• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.17902991
• LogD (pH = 7.4): -0.1790299
• Log P: -0.1790299
• Molar Refractivity: 29.6108 cm^3
• Polarizability: 11.545707 Å^3