1ER
Summary
| Name: | 3-(3-tert-butylphenyl)pyridin-2(1H)-one |
| Formula: | C15 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 227.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-tert-butylphenyl)pyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 3-(3-tert-butylphenyl)-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C(c1cc(ccc1)C(C)(C)C)=CC=CN2 |
| InChI | InChI | 1.03 | InChI=1S/C15H17NO/c1-15(2,3)12-7-4-6-11(10-12)13-8-5-9-16-14(13)17/h4-10H,1-3H3,(H,16,17) |
| InChIKey | InChI | 1.03 | OCDNGTPNEHVSMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1cccc(c1)C2=CC=CNC2=O |
| SMILES | CACTVS | 3.370 | CC(C)(C)c1cccc(c1)C2=CC=CNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1cccc(c1)C2=CC=CNC2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1cccc(c1)C2=CC=CNC2=O |
