9-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

• ChemBase ID: 117084
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: C1(=O)N(CC(=O)NC21CCCC2)C
• Canonical SMILES: O=C1CN(C)C(=O)C2(N1)CCCC2
• InChI: InChI=1S/C9H14N2O2/c1-11-6-7(12)10-9(8(11)13)4-2-3-5-9/h2-6H2,1H3,(H,10,12)
• InChIKey: ZHEIXGWEQIILBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
• IUPAC Traditional name: 9-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
• Synonyms: 9-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

Database IDs

• MDL Number: MFCD20434617
• PubChem SID: 162102270
• PubChem CID: 319109

CALCULATED PROPERTIES

• Acid pKa: 11.172628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4040422
• LogD (pH = 7.4): -0.40410635
• Log P: -0.4040414
• Molar Refractivity: 46.9567 cm^3
• Polarizability: 18.313353 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.0080

Product Information

• Purity: 95+%