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
- 形式電荷
- 0
- 複雑度
- 360
関連反応
29 件
化合物ノート
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