基本情報
- 標準SMILES
CN1C(=O)C2CCCN2C(=O)c2ccccc21- InChIKey
OWLRIHUHKJIHNS-UHFFFAOYSA-N- 分子式
- C13H14N2O2
- 平均分子量
- 230.26 g/mol
名称と識別子
- 優先名称
- 10-methyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
- IUPAC
- 5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
名称と別名
10-methyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione58207-50-4SCHEMBL7580646CHEMBL3246238HMS5161A01STK499246AKOS003078408AKOS0162488661,2,3,11a-Tetrahydro-10-methyl-5H-pyrrolo[2,1-c] [1,4]benzodiazepin-5,11 (10H)-dione1,2,3,11a-tetrahydro-10-methyl-5H-pyrrolo[2,1-c] [1,4]benzodiazepin-5,11(10H)-dione1,2,3,11a-tetrahydro-10-methyl-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5,11(10H)-dione10-methyl-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H,11aH)-dione
名称をさらに表示
10-methyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazapine-5,11(10H, 11aH)-dione10-Methyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazapine-5,11(10H,11aH)-dione1H-Pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione, 2,3-dihydro-10-methyl-(+) 1,2,3,11a-tetrahydro-10 -methyl-5 H-pyrrolo[2,1-c] [1,4] benzodiazepin-5,11(10H)-dione(-)-1,2,3,11 a-tetrahydro-10-methyl-5H-pyrrolo[2,1-c] [1,4] benzodiazepin- 5,11(10H)-dioneRacemic 1,2,3,11a-Tetrahydro-10-methyl-5H-pyrrolo[2,1-c] [1,4]benzodiazepin-5,11(10H)-dioneRacemic 1,2,3,11a-Tetrahydro-10-methyl-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5,11(10H)-dione
データベース識別子
- PubChem CID
- 9859436
- ChEMBL
CHEMBL3246238- Nikkaji
- J373.222C
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 40.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 355
関連反応
28 件
化合物ノート
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