(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID: 57581776
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| Compound Synonyms | SCHEMBL6018054 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Is Pains | False |
| Molecular Formula | C8H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | QQXLDOJGLXJCSE-PKPIPKONSA-N |
| Fcsp3 | 0.875 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.1 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 139.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 139.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9172275999999999 |
| Inchi | InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7?/m0/s1 |
| Smiles | CN1[C@H]2CCC1CC(=O)C2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nicandra Physalodes (Plant) Rel Props:Source_db:cmaup_ingredients