6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 254190
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: C1(=O)NC(=O)NC21C(CCCC2C)C
• Canonical SMILES: CC1CCCC(C21NC(=O)NC2=O)C
• InChI: InChI=1S/C10H16N2O2/c1-6-4-3-5-7(2)10(6)8(13)11-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
• InChIKey: ZOYJOBRRNSPAGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD09802098
• PubChem SID: 164310100
• PubChem CID: 12786719

CALCULATED PROPERTIES

• Acid pKa: 10.182719
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3071339
• LogD (pH = 7.4): 1.3064353
• Log P: 1.3071429
• Molar Refractivity: 51.0433 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

• Hydrophobicity(logP): 1.338

Product Information

• Purity: 95%