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

• ChemBase编号: 267315
• 分子式: C9H10N2O3
• 平均质量: 194.1873
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
• IUPAC传统名: 5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
• 别名: 5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

登记号

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

理论计算性质

• Acid pKa: 9.638897
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.1787516
• LogD (pH = 7.4): 0.1763131
• Log P: 0.17878279
• 摩尔折射率: 47.6579 cm^3
• 极化性: 18.116982 Å^3
• 极化表面积: 71.34 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.721

产品相关信息

• 纯度: 95%