3-ethyl-5-methylimidazolidine-2,4-dione

• ChemBase ID: 272972
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: N1(C(=O)NC(C1=O)C)CC
• Canonical SMILES: CCN1C(=O)NC(C1=O)C
• InChI: InChI=1S/C6H10N2O2/c1-3-8-5(9)4(2)7-6(8)10/h4H,3H2,1-2H3,(H,7,10)
• InChIKey: NERYWMOZDCVTJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-ethyl-5-methylimidazolidine-2,4-dione
• Synonyms: 3-ethyl-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD12194380
• PubChem SID: 164328882
• PubChem CID: 21719014

CALCULATED PROPERTIES

• Acid pKa: 12.009087
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.30097234
• LogD (pH = 7.4): -0.30098277
• Log P: -0.3009722
• Molar Refractivity: 35.1853 cm^3
• Polarizability: 13.547892 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): -0.017

Product Information

• Purity: 95%