7,9-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 238968
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: N1C(=O)NC2(C1=O)CC(CC(C2)C)C
• Canonical SMILES: CC1CC(C)CC2(C1)NC(=O)NC2=O
• InChI: InChI=1S/C10H16N2O2/c1-6-3-7(2)5-10(4-6)8(13)11-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
• InChIKey: YYLYCNHLXYNSSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 7,9-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 7,9-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD20404100
• PubChem SID: 164294878
• PubChem CID: 64751841

CALCULATED PROPERTIES

• Acid pKa: 10.191349
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1512266
• LogD (pH = 7.4): 1.1505418
• Log P: 1.1512355
• Molar Refractivity: 51.1973 cm^3
• Polarizability: 20.1432 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 299 - 301°C
• Hydrophobicity(logP): 1.338

Product Information

• Purity: 95%