5-ethyl-3,4-dihydro-2H-pyrrole

• ChemBase编号: 168514
• 分子式: C6H11N
• 平均质量: 97.15824
• 单一同位素质量: 97.08914936
• SMILES: C1CCN=C1CC
• Canonical SMILES: CCC1=NCCC1
• InChI: InChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h2-5H2,1H3
• InChIKey: MEPINLVYDXPOSN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-3,4-dihydro-2H-pyrrole
• IUPAC传统名: 2-ethyl-4,5-dihydro-3H-pyrrole
• 别名: 2-Ethyl-1-pyrroline; 2-Ethyl-4,5-dihydro-3H-pyrrole; 5-Ethyl-3,4-dihydro-2H-pyrrole

登记号

• CAS号: 1192-29-6
• PubChem SID: 162262646
• PubChem CID: 3013985

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.3234891
• LogD (pH = 7.4): 0.4385623
• Log P: 1.2701561
• 摩尔折射率: 30.6708 cm^3
• 极化性: 11.786148 Å^3
• 极化表面积: 12.36 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

• 溶解度: Dichloromethane
• 外观: Colorless Oil

详细说明

Toronto Research Chemicals - E916560

Flavoring compounds found in Chinese noodles and rice.