(4,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene)propanedinitrile
Chemical Structure Depiction of
(4,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene)propanedinitrile
(4,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene)propanedinitrile
Compound characteristics
| Compound ID: | 8020-6314 |
| Compound Name: | (4,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene)propanedinitrile |
| Molecular Weight: | 173.17 |
| Molecular Formula: | C9 H7 N3 O |
| Smiles: | CC1C(=C(C#N)C#N)C(NC=1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5116 |
| logD: | -1.4101 |
| logSw: | -1.2498 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.246 |
| InChI Key: | QNCHQEBJOPPUHX-UHFFFAOYSA-N |