1-(1-Methylpyrrolidin-2-yl)propan-2-ol
PubChem CID: 270601
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| Compound Synonyms | 1-(1-methylpyrrolidin-2-yl)propan-2-ol, 116836-26-1, Hygroline B, NSC-113095, SCHEMBL4245403, DTXSID80964292, CWMYODFAUAJKIV-UHFFFAOYSA-N, NSC113095, AKOS040764499 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-methylpyrrolidin-2-yl)propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C8H17NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWMYODFAUAJKIV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.441 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.278 |
| Compound Name | 1-(1-Methylpyrrolidin-2-yl)propan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 143.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 143.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1756259999999998 |
| Inchi | InChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3 |
| Smiles | CC(CC1CCCN1C)O |
| 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