4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzonitrile
Chemical Structure Depiction of
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzonitrile
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzonitrile
Compound characteristics
| Compound ID: | 0519-0213 |
| Compound Name: | 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzonitrile |
| Molecular Weight: | 198.18 |
| Molecular Formula: | C11 H6 N2 O2 |
| Smiles: | C1=CC(N(C1=O)c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8686 |
| logD: | 0.8686 |
| logSw: | -1.375 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.763 |
| InChI Key: | PRXNTCCKSPNEFB-UHFFFAOYSA-N |