PBO
Summary
| Name: | 1-PYRIDIN-3-YLBUTAN-1-ONE |
| Formula: | C9 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 149.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-pyridin-3-ylbutan-1-one |
| OpenEye OEToolkits | 1.5.0 | 1-pyridin-3-ylbutan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1cccnc1)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC(=O)c1cccnc1 |
| SMILES | CACTVS | 3.341 | CCCC(=O)c1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=O)c1cccnc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=O)c1cccnc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h3,5-7H,2,4H2,1H3 |
| InChIKey | InChI | 1.03 | JORUAYHMUWRFNM-UHFFFAOYSA-N |
