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

• ChemBase ID: 251082
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: N1C(=O)NC2(C1=O)CCC(CC2)C
• Canonical SMILES: CC1CCC2(CC1)NC(=O)NC2=O
• InChI: InChI=1S/C9H14N2O2/c1-6-2-4-9(5-3-6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13)
• InChIKey: YDHFGMUUNFASMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD01731592
• PubChem SID: 164306992
• PubChem CID: 12817

CALCULATED PROPERTIES

• Acid pKa: 10.189985
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.86420757
• LogD (pH = 7.4): 0.86352056
• Log P: 0.8642163
• Molar Refractivity: 46.6487 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: 230 - 232°C
• Hydrophobicity(logP): 0.819

Product Information

• Purity: 95%