1-(1-Methylpyrrolidin-1-ium-2-yl)propan-2-one
PubChem CID: 25200410
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| Topological Polar Surface Area | 21.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-methylpyrrolidin-1-ium-2-yl)propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C8H16NO+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADKXZIOQKHHDNQ-UHFFFAOYSA-O |
| Fcsp3 | 0.875 |
| Logs | -0.222 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.44 |
| Compound Name | 1-(1-Methylpyrrolidin-1-ium-2-yl)propan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.123 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 142.123 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8858764 |
| Inchi | InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/p+1 |
| Smiles | CC(=O)CC1CCC[NH+]1C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients