(-)-Hygrine
PubChem CID: 443144
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (-)-Hygrine, 65941-22-2, L-(-)-Hygrine, Hygrine, (-)-, (S)-(-)-Hygrine, (S)-hygrine, 5CX6437M9T, 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one, UNII-5CX6437M9T, 2-Propanone, 1-((2S)-1-methyl-2-pyrrolidinyl)-, 1-[(2S)-1-methylpyrrolidin-2-yl]acetone, 2-Propanone, 1-(1-methyl-2-pyrrolidinyl)-, (R)-, CHEBI:92, DTXSID20332057, Q27105231 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C8H15NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADKXZIOQKHHDNQ-QMMMGPOBSA-N |
| Fcsp3 | 0.875 |
| Logs | 0.147 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.344 |
| Compound Name | (-)-Hygrine |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8796267999999999 |
| Inchi | InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m0/s1 |
| Smiles | CC(=O)C[C@@H]1CCCN1C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Datura Metel (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients