7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

• ChemBase ID: 243644
• Molecular Formular: C6H8N2O3
• Molecular Mass: 156.13932
• Monoisotopic Mass: 156.05349213
• SMILES: N1C(=O)NC2(C1=O)CCOC2
• Canonical SMILES: O=C1NC(=O)C2(N1)COCC2
• InChI: InChI=1S/C6H8N2O3/c9-4-6(1-2-11-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)
• InChIKey: RRVLAJRWWLRJRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
• IUPAC Traditional name: 7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
• Synonyms: 7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

Database IDs

• MDL Number: MFCD18333462
• PubChem SID: 164299554
• PubChem CID: 543670

CALCULATED PROPERTIES

• Acid pKa: 9.544829
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3208857
• LogD (pH = 7.4): -1.3239118
• Log P: -1.3208469
• Molar Refractivity: 34.696 cm^3
• Polarizability: 13.614167 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.942

Product Information

• Purity: 95%