(4R,4aR,6S,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
PubChem CID: 11672783
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (4R,4aR,6S,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H21NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | MDEHQFAHARLWSP-HHKYUTTNSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.223 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.617 |
| Compound Name | (4R,4aR,6S,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 183.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.015929 |
| Inchi | InChI=1S/C11H21NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-11,13H,4-6H2,1-3H3/t7-,8-,9+,10-,11-/m0/s1 |
| Smiles | C[C@H]1CN(C[C@@H]2[C@@H]1C[C@@H]([C@H]2C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Incarvillea Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients