V9B
Summary
| Name: | N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide |
| Synonyms: | N-methyl-4-propionyl-1H-pyrrole-2-carboxamide 1481809 |
| Formula: | C9 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-4-propanoyl-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13) |
| InChIKey | InChI | 1.03 | CWMKCPQGJKUMBN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)c1c[nH]c(c1)C(=O)NC |
| SMILES | CACTVS | 3.385 | CCC(=O)c1c[nH]c(c1)C(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1cc([nH]c1)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1cc([nH]c1)C(=O)NC |
