5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Chemical Structure Depiction of
5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8010-7706 |
| Compound Name: | 5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile |
| Molecular Weight: | 258.28 |
| Molecular Formula: | C13 H14 N4 O2 |
| Smiles: | CCCC1CC2(CC(C#N)(C(N2)=O)C1(C#N)C#N)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0604 |
| logD: | 1.0604 |
| logSw: | -1.8029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.551 |
| InChI Key: | VNMZDLQMJGAUBM-UHFFFAOYSA-N |