1,3-diazaspiro[4.7]dodecane-2,4-dione

• ChemBase ID: 230890
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: N1C(=O)NC2(C1=O)CCCCCCC2
• Canonical SMILES: O=C1NC(=O)NC21CCCCCCC2
• InChI: InChI=1S/C10H16N2O2/c13-8-10(12-9(14)11-8)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,12,13,14)
• InChIKey: NMKBJKPVCZJVTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diazaspiro[4.7]dodecane-2,4-dione
• IUPAC Traditional name: 1,3-diazaspiro[4.7]dodecane-2,4-dione
• Synonyms: 1,3-Diaza-spiro[4.7]dodecane-2,4-dione

Database IDs

• CAS Number: 710-94-1
• MDL Number: MFCD01731527
• PubChem SID: 164286800
• PubChem CID: 95195

CALCULATED PROPERTIES

• Acid pKa: 10.191835
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4663258
• LogD (pH = 7.4): 1.4656417
• Log P: 1.4663346
• Molar Refractivity: 51.3021 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): 1.418

Product Information

• Purity: 95%