rel-(5aR,8aR)-7-cyclopentyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-cyclopentyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-cyclopentyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0923 |
| Compound Name: | rel-(5aR,8aR)-7-cyclopentyloctahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 222.33 |
| Molecular Formula: | C13 H22 N2 O |
| Smiles: | C1CCC(C1)N1C[C@H]2CCCC(N[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0307 |
| logD: | -1.4559 |
| logSw: | -1.36 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.8845 |
| InChI Key: | UPJZTGCSCQFREE-JQWIXIFHSA-N |