8-azabicyclo[5.2.0]nonan-9-one

• ChemBase ID: 235290
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: C1(=O)NC2C1CCCCC2
• Canonical SMILES: O=C1NC2C1CCCCC2
• InChI: InChI=1S/C8H13NO/c10-8-6-4-2-1-3-5-7(6)9-8/h6-7H,1-5H2,(H,9,10)
• InChIKey: SLHBGSLJLMFFLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-azabicyclo[5.2.0]nonan-9-one
• IUPAC Traditional name: 8-azabicyclo[5.2.0]nonan-9-one
• Synonyms: 8-azabicyclo[5.2.0]nonan-9-one

Database IDs

• MDL Number: MFCD19217966
• PubChem SID: 164291200
• PubChem CID: 557035

CALCULATED PROPERTIES

• Acid pKa: 14.649027
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0392246
• LogD (pH = 7.4): 1.0392246
• Log P: 1.0392246
• Molar Refractivity: 38.42 cm^3
• Polarizability: 15.217685 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.459

Product Information

• Purity: 95%