1H-Pyrrolizine-1-methanol, hexahydro-, (1S-cis)-
PubChem CID: 94259
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| Compound Synonyms | Laburnine, 3348-73-0, (+)-Laburnine, (1S-cis)-Hexahydro-1H-pyrrolizine-1-methanol, 1H-Pyrrolizine-1-methanol, hexahydro-, (1S-cis)-, (+)-Trachelanthamidine, UJ1D9E8IRV, [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol, UNII-UJ1D9E8IRV, ((1S,7aR)-hexahydro-1H-pyrrolizin-1-yl)methanol, DTXSID60187124, TRACHELANTHAMIDINE, (+)-, AKOS040735062, FS-6708, NS00094746, 1H-Pyrrolizine-1-methanol, hexahydro-, (1S,7aR)-, (1S,7AR)-HEXAHYDRO-1H-PYRROLIZIN-1-YLMETHANOL, 2,3,5,6,7,7A.BETA.-HEXAHYDRO-1H-PYRROLIZINE-1.BETA.-METHANOL |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C8H15NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | LOFDEIYZIAVXHE-HTQZYQBOSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.168 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.184 |
| Compound Name | 1H-Pyrrolizine-1-methanol, hexahydro-, (1S-cis)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 141.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 141.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 141.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9771268000000002 |
| Inchi | InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8-/m1/s1 |
| Smiles | C1C[C@@H]2[C@H](CCN2C1)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amaranthus Spinosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Piper Dilatatum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rumex Dentatus (Plant) Rel Props:Source_db:cmaup_ingredients