4-(hydrazinylmethylidene)-2-methyloxolan-3-one

• ChemBase编号: 81356
• 分子式: C6H10N2O2
• 平均质量: 142.1558
• 单一同位素质量: 142.07422757
• SMILES: O1C/C(=C\NN)/C(=O)C1C
• Canonical SMILES: CC1OC/C(=C\NN)/C1=O
• InChI: InChI=1S/C6H10N2O2/c1-4-6(9)5(2-8-7)3-10-4/h2,4,8H,3,7H2,1H3
• InChIKey: FLFUMHVUGDJIHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(hydrazinylmethylidene)-2-methyloxolan-3-one
• IUPAC传统名: 4-(hydrazinylmethylidene)-2-methyloxolan-3-one
• 别名: 4-(hydrazinomethylidene)-2-methyltetrahydrofuran-3-one

登记号

• MDL号: MFCD00105441
• PubChem SID: 162068475
• PubChem CID: 2777227

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.5615532
• LogD (pH = 7.4): -0.5222024
• Log P: -0.5216769
• 摩尔折射率: 48.2724 cm^3
• 极化性: 14.176513 Å^3
• 极化表面积: 64.35 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true