1-methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
1-methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
1-methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 8004-0458 |
| Compound Name: | 1-methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 188.23 |
| Molecular Formula: | C11 H12 N2 O |
| Smiles: | CC1=C2CCCCC2=C(C#N)C(N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7262 |
| logD: | 0.8801 |
| logSw: | -2.08 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.744 |
| InChI Key: | UELWLLSJFNZKKZ-UHFFFAOYSA-N |