6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 230884
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: N1C(=O)C2(NC1=O)C(C)CCCC2
• Canonical SMILES: O=C1NC(=O)C2(N1)CCCCC2C
• InChI: InChI=1S/C9H14N2O2/c1-6-4-2-3-5-9(6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13)
• InChIKey: ZWONRJVAXSOJSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 6-Methyl-1,3-diaza-spiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD01731591
• PubChem SID: 164286794
• PubChem CID: 227660

CALCULATED PROPERTIES

• Acid pKa: 10.18522
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9421612
• LogD (pH = 7.4): 0.9414666
• Log P: 0.94217
• Molar Refractivity: 46.5717 cm^3
• Polarizability: 18.313353 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194°C
• Hydrophobicity(logP): 0.819

Product Information

• Purity: 95%