10-methyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

HCID 9859436

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

関連反応

28 件

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