5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

• ChemBase ID: 267315
• Molecular Formular: C9H10N2O3
• Molecular Mass: 194.1873
• Monoisotopic Mass: 194.06914219
• SMILES: C1(C(=O)NC(=O)N1)(c1oc(cc1)C)C
• Canonical SMILES: CC1(NC(=O)NC1=O)c1ccc(o1)C
• InChI: InChI=1S/C9H10N2O3/c1-5-3-4-6(14-5)9(2)7(12)10-8(13)11-9/h3-4H,1-2H3,(H2,10,11,12,13)
• InChIKey: COLZUIHDBJGTIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00568316
• PubChem SID: 164323225
• PubChem CID: 16785243

CALCULATED PROPERTIES

• Acid pKa: 9.638897
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.1787516
• LogD (pH = 7.4): 0.1763131
• Log P: 0.17878279
• Molar Refractivity: 47.6579 cm^3
• Polarizability: 18.116982 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.721

Product Information

• Purity: 95%