2-Hydroxycyclopent-2-en-1-one
PubChem CID: 82674
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| Compound Synonyms | 2-Hydroxycyclopent-2-en-1-one, 10493-98-8, 2-hydroxycyclopent-2-enone, 2-Cyclopenten-1-one, 2-hydroxy-, 2-Hydroxy-2-cyclopentenone, MFCD16251523, DQ8L4K1DLJ, EINECS 234-020-8, 2-Hydroxy-2-cyclopenten-1-one, hydroxycyclopentenone, UNII-DQ8L4K1DLJ, 2-Hydroxy-cyclopent-2-enone, 2-Cyclopentenone, 2-hydroxy-, WOPKYMRPOKFYNI-UHFFFAOYSA-, DTXSID80146839, 2-Hydroxy-2-cyclopenten-1-one #, EX-A3140, AKOS015856393, CS-W019237, 2-Hydroxycyclopent-2-en-1-one, 95%, AS-59649, FH143792, SY102330, DB-347131, NS00023331, InChI=1/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | O=CCCC=C5O |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxycyclopent-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6O2 |
| Scaffold Graph Node Bond Level | O=C1C=CCC1 |
| Inchi Key | WOPKYMRPOKFYNI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-hydroxylcyclopent-2-en-1-one |
| Esol Class | Very soluble |
| Functional Groups | O=C1CCC=C1O |
| Compound Name | 2-Hydroxycyclopent-2-en-1-one |
| Exact Mass | 98.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 98.1 |
| 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/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2 |
| Smiles | C1CC(=O)C(=C1)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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