N-[(3E)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

• ChemBase编号: 185529
• 分子式: C8H14N2O
• 平均质量: 154.20956
• 单一同位素质量: 154.11061308
• SMILES: N1(C2C/C(=N\O)/CC1CC2)C
• Canonical SMILES: O/N=C/1\CC2CCC(C1)N2C
• InChI: InChI=1S/C8H14N2O/c1-10-7-2-3-8(10)5-6(4-7)9-11/h7-8,11H,2-5H2,1H3
• InChIKey: QOAKBKOUXFNSEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3E)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
• IUPAC传统名: N-[(3E)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

登记号

• PubChem SID: 164241439
• PubChem CID: 2728075

理论计算性质

• Acid pKa: 11.518511
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.679125
• LogD (pH = 7.4): -1.4002553
• Log P: 0.7079442
• 摩尔折射率: 43.1666 cm^3
• 极化性: 16.954247 Å^3
• 极化表面积: 35.83 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds