1BZ
Summary
| Name: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one |
| 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 | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-1-oxidanyl-6-(phenylmethyl)pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(C=C(N1O)Cc2ccccc2)C |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 |
| InChIKey | InChI | 1.03 | AVLZAVSZOAQKRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)N(O)C(=C1)Cc2ccccc2 |
| SMILES | CACTVS | 3.370 | CC1=CC(=O)N(O)C(=C1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)N(C(=C1)Cc2ccccc2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)N(C(=C1)Cc2ccccc2)O |
