1H-Pyrrolizin-1-ol, hexahydro-7-methylene-, (1R-trans)-
PubChem CID: 156459
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| Compound Synonyms | 74164-84-4, 1H-Pyrrolizin-1-ol, hexahydro-7-methylene-, (1R-trans)-, DTXSID50225125, (1R,8R)-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol, DTXCID50147616 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,8R)-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C8H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVTJHGIWYOOHFS-HTQZYQBOSA-N |
| Fcsp3 | 0.75 |
| Logs | -0.448 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.862 |
| Compound Name | 1H-Pyrrolizin-1-ol, hexahydro-7-methylene-, (1R-trans)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 139.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7723275999999999 |
| Inchi | InChI=1S/C8H13NO/c1-6-2-4-9-5-3-7(10)8(6)9/h7-8,10H,1-5H2/t7-,8-/m1/s1 |
| Smiles | C=C1CCN2[C@H]1[C@@H](CC2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients