9-methyl-6-azaspiro[3.5]nonan-7-one

• ChemBase ID: 248910
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: N1C(=O)CC(C2(C1)CCC2)C
• Canonical SMILES: CC1CC(=O)NCC21CCC2
• InChI: InChI=1S/C9H15NO/c1-7-5-8(11)10-6-9(7)3-2-4-9/h7H,2-6H2,1H3,(H,10,11)
• InChIKey: ZXQXNFJKRXEACV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-6-azaspiro[3.5]nonan-7-one
• IUPAC Traditional name: 9-methyl-6-azaspiro[3.5]nonan-7-one
• Synonyms: 9-methyl-6-azaspiro[3.5]nonan-7-one

Database IDs

• PubChem SID: 164304820
• PubChem CID: 71758613

CALCULATED PROPERTIES

• Acid pKa: 14.927031
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8757938
• LogD (pH = 7.4): 0.8757949
• Log P: 0.8757949
• Molar Refractivity: 43.076 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

• Hydrophobicity(logP): 0.978

Product Information

• Purity: 95%