781
Summary
| Name: | N-(5-hydroxynaphthalen-2-yl)propanamide |
| Synonyms: | N-(5-hydroxynaphthalen-2-yl)prop-2-enamide, bound form |
| Formula: | C13 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 215.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-hydroxynaphthalen-2-yl)propanamide |
| OpenEye OEToolkits | 1.9.2 | N-(5-oxidanylnaphthalen-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc2cc1cccc(O)c1cc2)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h3-8,15H,2H2,1H3,(H,14,16) |
| InChIKey | InChI | 1.03 | IPFXHEAWAKCIPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc2c(O)cccc2c1 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc2c(O)cccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(=O)Nc1ccc2c(c1)cccc2O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)Nc1ccc2c(c1)cccc2O |
