2-Cyclopenten-1-one, 3-methyl-2-(2,4-pentadienyl)-, (Z)-
PubChem CID: 5373801
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| Compound Synonyms | Pyrethrone, GBEJULSURQZDNX-PLNGDYQASA-N, 2-Cyclopenten-1-one, 3-methyl-2-(2,4-pentadienyl)-, (Z)-, 3-Methyl-2-[(2Z)-2,4-pentadienyl]-2-cyclopenten-1-one # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | C=C/C=CCC=CC)CCC5=O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 256.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O |
| Scaffold Graph Node Bond Level | O=C1C=CCC1 |
| Inchi Key | GBEJULSURQZDNX-PLNGDYQASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | pyrethrone |
| Esol Class | Soluble |
| Functional Groups | C=C/C=CC, CC1=C(C)C(=O)CC1 |
| Compound Name | 2-Cyclopenten-1-one, 3-methyl-2-(2,4-pentadienyl)-, (Z)- |
| Exact Mass | 162.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 162.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-5H,1,6-8H2,2H3/b5-4- |
| Smiles | CC1=C(C(=O)CC1)C/C=C\C=C |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643925