L46
Summary
| Name: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide |
| Formula: | C11 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 208.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 4-ethanoyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1c(c(c(n1)C)C(=O)C)CC)NC |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15) |
| InChIKey | InChI | 1.03 | LCSLEHAEHBSCSA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)NC |
| SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c([nH]c1C(=O)NC)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c([nH]c1C(=O)NC)C)C(=O)C |
