5-propylimidazolidine-2,4-dione

• ChemBase ID: 251316
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: N1C(=O)NC(C1=O)CCC
• Canonical SMILES: CCCC1NC(=O)NC1=O
• InChI: InChI=1S/C6H10N2O2/c1-2-3-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)
• InChIKey: BIFASJFFCIDWDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00059721
• PubChem SID: 164307226
• PubChem CID: 567619

CALCULATED PROPERTIES

• Acid pKa: 9.937316
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.08561915
• LogD (pH = 7.4): 0.08439075
• Log P: 0.085634835
• Molar Refractivity: 34.665 cm^3
• Polarizability: 13.547892 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): -0.114

Product Information

• Purity: 95%