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

• ChemBase ID: 255067
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: N1C(=O)NC2(C1=O)CCC(CC2)c1ccccc1
• Canonical SMILES: O=C1NC(=O)NC21CCC(CC2)c1ccccc1
• InChI: InChI=1S/C14H16N2O2/c17-12-14(16-13(18)15-12)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,16,17,18)
• InChIKey: XZICMHSYLIZUJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01731597
• PubChem SID: 164310977
• PubChem CID: 3087537

CALCULATED PROPERTIES

• Acid pKa: 10.191306
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9980116
• LogD (pH = 7.4): 1.9973266
• Log P: 1.9980203
• Molar Refractivity: 66.7437 cm^3
• Polarizability: 25.948877 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): 1.708

Product Information

• Purity: 95%