2-But-2-enyl-3-methylcyclopent-2-en-1-one
PubChem CID: 591418
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-but-2-enyl-3-methylcyclopent-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVLCENBZDYVJPA-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.882 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.345 |
| Compound Name | 2-But-2-enyl-3-methylcyclopent-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7544702 |
| Inchi | InChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h3-4H,5-7H2,1-2H3 |
| Smiles | CC=CCC1=C(CCC1=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients