5,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno[3,2-b]pyran

HCID 9903464

基本情報

標準SMILES
CC1(C)Oc2ccsc2C(N2CCCC2=O)C1O
InChIKey
YVDVXXLNFSKUSO-UHFFFAOYSA-N
分子式
C13H17NO3S
平均分子量
267.35 g/mol

名称と識別子

優先名称
5,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno[3,2-b]pyran
IUPAC
1-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)pyrrolidin-2-one

名称と別名

5,6-dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno [3,2-b)pyran5,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno [3,2-b]pyranSCHEMBL9147058YVDVXXLNFSKUSO-UHFFFAOYSA-N5,6- dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl) -7H-thieno[3,2-b]pyran5,6- dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno[3,2-b]pyran5,6-dihydro-6-hydroxy-5,5- dimethyl-7-(2-oxopyrrolidin -1-yl)-7H-thieno[3,2-b]pyran5,6-dihydro-6-hydroxy-5,5- dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno[3,2-b]pyran5,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl) -7H-thieno[3,2-b]pyran5,6-Dihydro-6-hydroxy-5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-7H-thieno[3,2-b]pyran

データベース識別子

PubChem CID
9903464

物性

構造計算による物性

XLogP
0.8
極性表面積
78 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
18

関連反応

29 件

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