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

• ChemBase ID: 235228
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: N1C(=O)N(C2(C1=O)CCC(CC2)C)C
• Canonical SMILES: CC1CCC2(CC1)C(=O)NC(=O)N2C
• InChI: InChI=1S/C10H16N2O2/c1-7-3-5-10(6-4-7)8(13)11-9(14)12(10)2/h7H,3-6H2,1-2H3,(H,11,13,14)
• InChIKey: KZXCFFUWVIAYNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06340071
• PubChem SID: 164291138
• PubChem CID: 3865268

CALCULATED PROPERTIES

• Acid pKa: 10.461021
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0878876
• LogD (pH = 7.4): 1.0875195
• Log P: 1.0878924
• Molar Refractivity: 51.5454 cm^3
• Polarizability: 20.1432 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.505

Product Information

• Purity: 95%