8-methyl-2-azaspiro[4.5]decan-3-one

• ChemBase ID: 58130
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: C12(CCC(CC1)C)CNC(=O)C2
• Canonical SMILES: CC1CCC2(CC1)CNC(=O)C2
• InChI: InChI=1S/C10H17NO/c1-8-2-4-10(5-3-8)6-9(12)11-7-10/h8H,2-7H2,1H3,(H,11,12)
• InChIKey: MTJORIHKWFSACL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-azaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-methyl-2-azaspiro[4.5]decan-3-one
• Synonyms: 8-Methyl-2-azaspiro[4.5]decan-3-one

Database IDs

• MDL Number: MFCD15146417
• PubChem SID: 162062893
• PubChem CID: 10583210

CALCULATED PROPERTIES

• Acid pKa: 14.981805
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3203628
• LogD (pH = 7.4): 1.3203635
• Log P: 1.3203635
• Molar Refractivity: 47.677 cm^3
• Polarizability: 18.897352 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false