1-ethylimidazolidine-2,4,5-trione

• ChemBase ID: 798313
• Molecular Formular: C5H6N2O3
• Molecular Mass: 142.11274
• Monoisotopic Mass: 142.03784206
• SMILES: N1(C(=O)NC(=O)C1=O)CC
• Canonical SMILES: CCN1C(=O)NC(=O)C1=O
• InChI: InChI=1S/C5H6N2O3/c1-2-7-4(9)3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)
• InChIKey: VIGJKMRHILAFFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylimidazolidine-2,4,5-trione
• IUPAC Traditional name: 1-ethylimidazolidine-2,4,5-trione
• Synonyms: 1-ethylimidazolidine-2,4,5-trione

Database IDs

• CAS Number: 57012-86-9

CALCULATED PROPERTIES

• Acid pKa: 6.33691
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6814969
• LogD (pH = 7.4): -1.6685083
• Log P: -0.6231934
• Molar Refractivity: 31.0709 cm^3
• Polarizability: 11.910504 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%