rel-(5aR,8aR)-octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0851 |
| Compound Name: | rel-(5aR,8aR)-octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 154.21 |
| Molecular Formula: | C8 H14 N2 O |
| Smiles: | [H]N1C[C@H]2CCCC(N[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5117 |
| logD: | -3.5057 |
| logSw: | -0.2674 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.381 |
| InChI Key: | ZHCJQQDBJATHJJ-BQBZGAKWSA-N |