6R3
Summary
| Name: | 2-azanylpenta-1,4-dien-3-one |
| Formula: | C5 H7 N O |
| Formal charge: | 0 |
| Formula weight: | 97.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-azanylpenta-1,4-dien-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO/c1-3-5(7)4(2)6/h3H,1-2,6H2 |
| InChIKey | InChI | 1.03 | AHTXUWSCLWCTPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=C)C(=O)C=C |
| SMILES | CACTVS | 3.385 | NC(=C)C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C=CC(=O)C(=C)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | C=CC(=O)C(=C)N |
