CAS 68108-18-9|(4S)-4-hydroxypyrrolidin-2-one|(4S)-4-hydroxypyrrolidin-2-one|(S)-4-Hydroxypyrrolidine-2-one|(4S)-(-)-4-Hydroxy-2-oxopyrrolidine|(4S)-(-)-4-Hydroxypyrrolidin-2-one|(4S)-(-)-beta-Hydro...

基本信息

化学结构

分子式

C₄H₇NO₂

分子量

101.10388

精确质量

101.04767847

电荷

InChI

InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1

InChIKey

IOGISYQVOGVIEU-VKHMYHEASA-N

Canonic Smiles

O[C@H]1CC(=O)NC1

Isomeric Smiles

N1C(=O)C[C@@H](C1)O

计算属性

JChem

Acid pKa

14.054872

质子受体

质子供体

LogD (pH = 5.5)

-1.4986055

LogD (pH = 7.4)

-1.4986055

Log P

-1.4986055

摩尔折射率

23.4654

极化性

9.2818985

极化表面积

49.33

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

IUPAC传统名

(4S)-4-hydroxypyrrolidin-2-one

IUPAC标准名

(4S)-4-hydroxypyrrolidin-2-one

别名

(S)-4-Hydroxypyrrolidine-2-one(4S)-(-)-4-Hydroxy-2-oxopyrrolidine(4S)-(-)-4-Hydroxypyrrolidin-2-one(4S)-(-)-beta-Hydroxy-gamma-butyrolactam(S)-(-)-4-羟基-2-吡咯烷酮(S)-β-Hydroxy-γ-butyrolactam(S)-(-)-4-Hydroxy-2-pyrrolidinone(S)-β-羟基-γ-丁内酰胺(S)-4-Hydroxy-2-pyrrolidone(S)-(-)-β-Hydroxy-γ-butyrolactam(S)-(-)-β-羟基-γ-丁内酰胺(S)-4-羟基-2-吡咯酮(S)-4-Hydroxy-2-pyrrolidone(S)-(-)-4-Hydroxy-2-pyrrolidinone(4S)-4-Hydroxy-2-pyrrolidinone(S)-4-Hydroxy-2-pyrrolidinone(S)-(-)-4-Hydroxy-2-pyrrolidinone

名称和标识

数据登录号

CAS号

68108-18-9

MDL号

MFCD00273370

PubChem SID

2488701516203463224871604

Beilstein号

1524192

PubChem CID

155084