CAS 84-83-3|2-[(2Z)-1,3,3-trimethylindol-2-ylidene]acetaldehyde|2-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]acetaldehyde|(1,3,3-Trimethyl-1,3-dihydro-indol-2-ylidene)-acetaldehyde|2-(1,3,...

基本信息

化学结构

分子式

C₁₃H₁₅NO

分子量

201.2643

精确质量

201.11536411

电荷

InChI

InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3/b12-8-

InChIKey

GCECACVNILMTRD-WQLSENKSSA-N

Canonic Smiles

O=C/C=C/1\N(C)c2c(C1(C)C)cccc2

Isomeric Smiles

c12c(C(/C(=C/C=O)/N1C)(C)C)cccc2

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.3518755

LogD (pH = 7.4)

2.3518798

Log P

2.3518798

摩尔折射率

63.8188

极化性

23.466022

极化表面积

20.31

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

(1,3,3-Trimethyl-1,3-dihydro-indol-2-ylidene)-acetaldehyde2-(1,3,3-Trimethylindolin-2-ylidene)acetaldehydeNSC 68048费舍尔氏醛1,3,3-Trimethyl-Δ2,α-indolineacetaldehydeFischer′s aldehyde1,3,3-Trimethyl-2-(formylmethylene)-2,3-dihydroindole1,3,3-Trimethyl-2-methyleneindoline-ω-aldehyde1,3,3-Trimethyl-2-(formylmethylene)indoline

IUPAC传统名

2-[(2Z)-1,3,3-trimethylindol-2-ylidene]acetaldehyde 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde

IUPAC标准名

2-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]acetaldehyde 2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)acetaldehyde

名称和标识

数据登录号

MDL号

MFCD00035879MFCD00071813

CAS号

84-83-3

PubChem SID

16097759624879071