5-ethylimidazolidine-2,4-dione

• ChemBase ID: 285525
• Molecular Formular: C5H8N2O2
• Molecular Mass: 128.12922
• Monoisotopic Mass: 128.05857751
• SMILES: N1C(=O)NC(C1=O)CC
• Canonical SMILES: CCC1NC(=O)NC1=O
• InChI: InChI=1S/C5H8N2O2/c1-2-3-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)
• InChIKey: RSBRXBZGVHQUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00059161
• PubChem SID: 180671056
• PubChem CID: 253217

CALCULATED PROPERTIES

• Acid pKa: 9.936331
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.35894954
• LogD (pH = 7.4): -0.36018074
• Log P: -0.35893384
• Molar Refractivity: 30.064 cm^3
• Polarizability: 11.731229 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116 - 118°C
• Hydrophobicity(logP): -0.643

Product Information

• Purity: 95%