Cyclopentylidenecyclopentan-2-one
PubChem CID: 69995
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| Compound Synonyms | 2-Cyclopentylidenecyclopentanone, 825-25-2, 2-cyclopentylidenecyclopentan-1-one, [Bicyclopentyliden]-2-one, Cyclopentylidenecyclopentan-2-one, Cyclopentanone,2-cyclopentylidene-, Cyclopentanone, 2-cyclopentylidene-, [1,1'-Bi(cyclopentylidene)]-2-one, EINECS 212-542-7, 7ALH95T3QJ, BICYCLOPENTYLIDENE-2-ONE, 2-Cyclopentylidene-cyclopentanone, DTXSID80231794, NSC 22041, NSC-22041, [.DELTA.1,1'-Bicyclopentan]-2-one, 2-Cyclopentylidene-1-cyclopentanone, NSC22041, UNII-7ALH95T3QJ, SCHEMBL5464779, 2-cyclopentylidene cyclopentanone, 2-cyclopentylidenecyclo-pentanone, NYSYNXRPXJZYFY-UHFFFAOYSA-, 2-cyclopentylidencyclopentan-1-on, DTXCID10154285, 1,1'-bi(cyclopentyliden)-2-one, AAA82525, MFCD00044678, STL560956, AKOS006241773, DB-056623, CS-0202769, NS00020891, E82432, EN300-136053, InChI=1/C10H14O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h1-7H2, 212-542-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1C1CCCC1 |
| Deep Smiles | O=CCCCC5=CCCCC5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCC1C1CCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-cyclopentylidenecyclopentan-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | O=C1CCCC1=C1CCCC1 |
| Inchi Key | NYSYNXRPXJZYFY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclopentanone, 2-cyclopentylidene- |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)C(C)=C(C)C |
| Compound Name | Cyclopentylidenecyclopentan-2-one |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h1-7H2 |
| Smiles | C1CCC(=C2CCCC2=O)C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3525