6,6,7-trimethyl-2-azabicyclo[3.2.1]octan-3-one

• ChemBase ID: 183180
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: C1(C2CC(NC(=O)C2)C1C)(C)C
• Canonical SMILES: O=C1NC2CC(C1)C(C2C)(C)C
• InChI: InChI=1S/C10H17NO/c1-6-8-4-7(10(6,2)3)5-9(12)11-8/h6-8H,4-5H2,1-3H3,(H,11,12)
• InChIKey: QWRJNGSCBGJLPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6,7-trimethyl-2-azabicyclo[3.2.1]octan-3-one
• IUPAC Traditional name: 6,6,7-trimethyl-2-azabicyclo[3.2.1]octan-3-one

Database IDs

• PubChem SID: 164239090
• PubChem CID: 376012

CALCULATED PROPERTIES

• Acid pKa: 14.875839
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1348171
• LogD (pH = 7.4): 1.1348203
• Log P: 1.1348203
• Molar Refractivity: 47.4424 cm^3
• Polarizability: 18.897352 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds