(prop-2-enoyl)urea

• ChemBase ID: 264034
• Molecular Formular: C4H6N2O2
• Molecular Mass: 114.10264
• Monoisotopic Mass: 114.04292744
• SMILES: N(C(=O)N)C(=O)C=C
• Canonical SMILES: NC(=O)NC(=O)C=C
• InChI: InChI=1S/C4H6N2O2/c1-2-3(7)6-4(5)8/h2H,1H2,(H3,5,6,7,8)
• InChIKey: UXGLSABDGQOSET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-enoyl)urea
• IUPAC Traditional name: prop-2-enoylurea
• Synonyms: prop-2-enoylurea

Database IDs

• MDL Number: MFCD14705590
• PubChem SID: 164319944
• PubChem CID: 543653

CALCULATED PROPERTIES

• Acid pKa: 11.908537
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6189327
• LogD (pH = 7.4): -0.61894584
• Log P: -0.61893255
• Molar Refractivity: 27.3562 cm^3
• Polarizability: 10.363401 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.179

Product Information

• Purity: 95%