Nopinone
PubChem CID: 10313167
Connections displayed (default: 10).
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| Compound Synonyms | 38651-65-9, (1R)-(+)-Nopinone, (1R,5S)-6,6-Dimethylbicyclo[3.1.1]heptan-2-one, G7O7RX0V01, UNII-G7O7RX0V01, (1R,5S)-NOPINONE, (R)-(+)-NOPINONE, NSC 250997, NSC-250997, Bicyclo(3.1.1)heptan-2-one, 6,6-dimethyl-, (1R)-, Norinone, Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-, (1R,5S)-, (1R,5S)-6,6-DIMETHYLBICYCLO(3.1.1)HEPTAN-2-ONE, BICYCLO(3.1.1)HEPTAN-2-ONE, 6,6-DIMETHYL-, (1R,5S)-, MFCD08447116, (+)-Nopinone, (1R,5S)-(+)-6,6-Dimethylbicyclo[3.1.1]heptan-2-one, SCHEMBL2388827, CHEMBL3782017, (1R)-(+)-Nopinone, 98%, AKOS016010310, E73992, EN300-303653 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C9H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XZFDKWMYCUEKSS-BQBZGAKWSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -2.261 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.937 |
| Compound Name | Nopinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7364019999999996 |
| Inchi | InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1 |
| Smiles | CC1([C@H]2CCC(=O)[C@@H]1C2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all