N-(4-tert-butyl-3-cyano-1-methyl-1H-pyrrol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-tert-butyl-3-cyano-1-methyl-1H-pyrrol-2-yl)acetamide
N-(4-tert-butyl-3-cyano-1-methyl-1H-pyrrol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8008-4450 |
| Compound Name: | N-(4-tert-butyl-3-cyano-1-methyl-1H-pyrrol-2-yl)acetamide |
| Molecular Weight: | 219.28 |
| Molecular Formula: | C12 H17 N3 O |
| Smiles: | CC(Nc1c(C#N)c(cn1C)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6167 |
| logD: | 1.6041 |
| logSw: | -2.2497 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.285 |
| InChI Key: | HABCFNMWUZLDHU-UHFFFAOYSA-N |