5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 267314
• Molecular Formular: C10H12N2O3
• Molecular Mass: 208.21388
• Monoisotopic Mass: 208.08479225
• SMILES: c1(C2(C(=O)NC(=O)N2)C)c(oc(c1)C)C
• Canonical SMILES: CC1(NC(=O)NC1=O)c1cc(oc1C)C
• InChI: InChI=1S/C10H12N2O3/c1-5-4-7(6(2)15-5)10(3)8(13)11-9(14)12-10/h4H,1-3H3,(H2,11,12,13,14)
• InChIKey: JOJIYGFFXUPPDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione
• Synonyms: 5-(2,5-dimethylfuran-3-yl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD11190910
• PubChem SID: 164323224
• PubChem CID: 43121457

CALCULATED PROPERTIES

• Acid pKa: 9.762526
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.45831951
• LogD (pH = 7.4): 0.45648378
• Log P: 0.458343
• Molar Refractivity: 52.9301 cm^3
• Polarizability: 19.86578 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.17

Product Information

• Purity: 95%