2LD
Summary
| Name: | 3-hydroxy-5-(2-phenylethyl)pyridin-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 | 3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 3-oxidanyl-5-(2-phenylethyl)-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(O)=CC(=CN1)CCc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16) |
| InChIKey | InChI | 1.03 | XUXZMSAUXVFNPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC1=CC(=CNC1=O)CCc2ccccc2 |
| SMILES | CACTVS | 3.370 | OC1=CC(=CNC1=O)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCC2=CNC(=O)C(=C2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCC2=CNC(=O)C(=C2)O |
