3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanenitrile
Chemical Structure Depiction of
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanenitrile
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanenitrile
Compound characteristics
| Compound ID: | D048-0129 |
| Compound Name: | 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanenitrile |
| Molecular Weight: | 200.19 |
| Molecular Formula: | C11 H8 N2 O2 |
| Smiles: | C(CN1C(c2ccccc2C1=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.8245 |
| logD: | 0.8245 |
| logSw: | -1.9546 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.233 |
| InChI Key: | LOOWMCWVRNEZLZ-UHFFFAOYSA-N |