1-[(2S)-pyrrolidin-2-yl]propan-2-one
PubChem CID: 55299747
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL10181148, AKOS006378546 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(2S)-pyrrolidin-2-yl]propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C7H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZAJDAGLJUKMNJL-ZETCQYMHSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | 0.472 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.282 |
| Compound Name | 1-[(2S)-pyrrolidin-2-yl]propan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 127.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 127.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5028593999999998 |
| Inchi | InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1 |
| Smiles | CC(=O)C[C@@H]1CCCN1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dryopteris Caucasica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ocimum Selloi (Plant) Rel Props:Source_db:cmaup_ingredients