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

• ChemBase ID: 269596
• Molecular Formular: C7H10N2O3
• Molecular Mass: 170.1659
• Monoisotopic Mass: 170.06914219
• SMILES: N1C(=O)NC2(C1=O)CCOCC2
• Canonical SMILES: O=C1NC(=O)NC21CCOCC2
• InChI: InChI=1S/C7H10N2O3/c10-5-7(9-6(11)8-5)1-3-12-4-2-7/h1-4H2,(H2,8,9,10,11)
• InChIKey: ZJAGHKBPSTXBRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01710740
• PubChem SID: 164325506
• PubChem CID: 217651

CALCULATED PROPERTIES

• Acid pKa: 9.590237
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2609221
• LogD (pH = 7.4): -1.2636487
• Log P: -1.2608873
• Molar Refractivity: 39.5614 cm^3
• Polarizability: 15.422328 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 - 266°C
• Hydrophobicity(logP): -2.099

Product Information

• Purity: 95%