2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzonitrile
Chemical Structure Depiction of
2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzonitrile
2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzonitrile
Compound characteristics
| Compound ID: | 8009-5169 |
| Compound Name: | 2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzonitrile |
| Molecular Weight: | 304.35 |
| Molecular Formula: | C19 H16 N2 O2 |
| Smiles: | CC(C)=C1C2C=CC1C1C2C(N(C1=O)c1ccccc1C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9784 |
| logD: | 1.9784 |
| logSw: | -2.4686 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.48 |
| InChI Key: | IQRRMJBELVGXQL-UHFFFAOYSA-N |