8-methyl-2-azaspiro[4.5]decane-1,3-dione

• ChemBase ID: 269137
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: N1C(=O)C2(CC1=O)CCC(CC2)C
• Canonical SMILES: CC1CCC2(CC1)CC(=O)NC2=O
• InChI: InChI=1S/C10H15NO2/c1-7-2-4-10(5-3-7)6-8(12)11-9(10)13/h7H,2-6H2,1H3,(H,11,12,13)
• InChIKey: AAOJTPHCAQNKJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-azaspiro[4.5]decane-1,3-dione
• IUPAC Traditional name: 8-methyl-2-azaspiro[4.5]decane-1,3-dione
• Synonyms: 8-methyl-2-azaspiro[4.5]decane-1,3-dione

Database IDs

• MDL Number: MFCD11207853
• PubChem SID: 164325047
• PubChem CID: 43155384

CALCULATED PROPERTIES

• Acid pKa: 10.42403
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.262523
• LogD (pH = 7.4): 1.2621222
• Log P: 1.2625282
• Molar Refractivity: 47.9063 cm^3
• Polarizability: 18.990404 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.338

Product Information

• Purity: 95%