HNH
概要
| 表記: | 5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol |
| 別名: | 6-hydroxy-N-Methyl-myosmine |
| 組成式: | C10 H12 N2 O |
| 電荷: | 0 |
| 化学式量: | 176.215 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol |
| OpenEye OEToolkits | 1.7.0 | 5-(1-methyl-2,3-dihydropyrrol-5-yl)pyridin-2-ol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n2cc(C1=CCCN1C)ccc2O |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1CCC=C1c2ccc(O)nc2 |
| SMILES | CACTVS | 3.370 | CN1CCC=C1c2ccc(O)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1CCC=C1c2ccc(nc2)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCC=C1c2ccc(nc2)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13) |
| InChIKey | InChI | 1.03 | LWGKCPAYDQWMMS-UHFFFAOYSA-N |
