1-ethylimidazolidin-2-one

• ChemBase ID: 273815
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: C1(=O)N(CCN1)CC
• Canonical SMILES: CCN1CCNC1=O
• InChI: InChI=1S/C5H10N2O/c1-2-7-4-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
• InChIKey: NSPYRFXQDUFQOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylimidazolidin-2-one
• IUPAC Traditional name: 1-ethylimidazolidin-2-one
• Synonyms: 1-ethylimidazolidin-2-one

Database IDs

• MDL Number: MFCD11226854
• PubChem SID: 164329725
• PubChem CID: 11378469

CALCULATED PROPERTIES

• Acid pKa: 14.332196
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.50752264
• LogD (pH = 7.4): -0.5075227
• Log P: -0.50752264
• Molar Refractivity: 30.6123 cm^3
• Polarizability: 11.584517 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): -0.367

Product Information

• Purity: 95%