9-azabicyclo[6.2.0]decan-10-one

• ChemBase ID: 236415
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: C1(=O)NC2C1CCCCCC2
• Canonical SMILES: O=C1NC2C1CCCCCC2
• InChI: InChI=1S/C9H15NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h7-8H,1-6H2,(H,10,11)
• InChIKey: IRZLUTQKGLCRPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-azabicyclo[6.2.0]decan-10-one
• IUPAC Traditional name: 9-azabicyclo[6.2.0]decan-10-one
• Synonyms: 9-azabicyclo[6.2.0]decan-10-one

Database IDs

• MDL Number: MFCD21758424
• PubChem SID: 164292325
• PubChem CID: 303981

CALCULATED PROPERTIES

• Acid pKa: 14.722014
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4837933
• LogD (pH = 7.4): 1.4837933
• Log P: 1.4837933
• Molar Refractivity: 43.021 cm^3
• Polarizability: 17.056831 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 1.018

Product Information

• Purity: 95%