8-cyclopentyl-8-azabicyclo[3.2.1]octan-3-one

• ChemBase ID: 307312
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N1(C2CC(=O)CC1CC2)C1CCCC1
• Canonical SMILES: O=C1CC2CCC(C1)N2C1CCCC1
• InChI: InChI=1S/C12H19NO/c14-12-7-10-5-6-11(8-12)13(10)9-3-1-2-4-9/h9-11H,1-8H2
• InChIKey: SEQOWFVBIFCUEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-cyclopentyl-8-azabicyclo[3.2.1]octan-3-one
• IUPAC Traditional name: 8-cyclopentyl-8-azabicyclo[3.2.1]octan-3-one
• Synonyms: 8-cyclopentyl-8-azabicyclo[3.2.1]octan-3-one

Database IDs

• CAS Number: 959237-75-3
• MDL Number: MFCD09864323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3841399
• LogD (pH = 7.4): -0.31529093
• Log P: 2.0531662
• Molar Refractivity: 55.7581 cm^3
• Polarizability: 22.244144 Å^3
• Polar Surface Area: 20.31 Å^2