5-cyclohexyl-5-methylimidazolidine-2,4-dione

• ChemBase ID: 251405
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: N1C(=O)C(NC1=O)(C1CCCCC1)C
• Canonical SMILES: O=C1NC(=O)NC1(C)C1CCCCC1
• InChI: InChI=1S/C10H16N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)
• InChIKey: YBMOLUUAPATTDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclohexyl-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-cyclohexyl-5-methylimidazolidine-2,4-dione
• Synonyms: 5-cyclohexyl-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD08271824
• PubChem SID: 164307315
• PubChem CID: 22785

CALCULATED PROPERTIES

• Acid pKa: 10.191827
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3087763
• LogD (pH = 7.4): 1.3080921
• Log P: 1.308785
• Molar Refractivity: 51.2497 cm^3
• Polarizability: 20.1432 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 1.378

Product Information

• Purity: 95%