A1CQB
Summary
| Name: | N-(2-hydroxyethyl)-1H-indole-2-carboxamide |
| Formula: | C11 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 204.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-hydroxyethyl)-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(2-hydroxyethyl)-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCCNC(=O)c1cc2ccccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O2/c14-6-5-12-11(15)10-7-8-3-1-2-4-9(8)13-10/h1-4,7,13-14H,5-6H2,(H,12,15) |
| InChIKey | InChI | 1.06 | GIJJQYVSRKAHBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNC(=O)c1[nH]c2ccccc2c1 |
| SMILES | CACTVS | 3.385 | OCCNC(=O)c1[nH]c2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)cc([nH]2)C(=O)NCCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)cc([nH]2)C(=O)NCCO |
