3-Methyl-2-cyclopenten-1-one
PubChem CID: 17691
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| Compound Synonyms | 3-METHYL-2-CYCLOPENTEN-1-ONE, 2758-18-1, 3-methylcyclopent-2-en-1-one, 3-Methylcyclopent-2-enone, 3-Methyl-2-cyclopentenone, 2-Cyclopenten-1-one, 3-methyl-, 1-Methyl-1-cyclopenten-3-one, FEMA No. 3435, MFCD00001403, UNII-6V7RSW7273, NUSSOL, 3-methylcyclopentenone, 6V7RSW7273, EINECS 220-421-5, DTXSID1062629, FEMA 3435, 1-METHYL-1-CYCLOPENTEN-3-ONE [FHFI], 3-methyl-2cyclopenten-1-one, CHEMBL290007, DTXCID6037699, 3-methyl-cyclopent-2-en-1-one, CHEBI:179528, 3-Methyl-2-cyclopentenone, 97%, STR02311, AKOS000119905, AKOS025243231, CS-W013730, HY-W013014, SB40535, FM142340, PD158302, 3-Methyl-2-cyclopenten-1-one, 97%, FG, DB-003410, DB-152169, M0956, NS00021980, EN300-19779, 3-Methyl-2-cyclopentenone, analytical standard, H10654, Q27265577, 134014-04-3 |
|---|---|
| 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 | CC1CCCC1 |
| Deep Smiles | CC=CC=O)CC5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring ingredient. 3-Methyl-2-cyclopenten-1-one is found in many foods, some of which are red bell pepper, pepper (c. annuum), orange bell pepper, and green bell pepper. |
| Scaffold Graph Node Level | OC1CCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylcyclopent-2-en-1-one |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.5 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8O |
| Scaffold Graph Node Bond Level | O=C1C=CCC1 |
| Inchi Key | CHCCBPDEADMNCI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-Methyl-1-cyclopenten-3-one, 2-Cyclopenten-1-one, 3-methyl-, 3-Methyl-2-cyclopentenone, 3-methylcyclopent-2-en-1-one, 3-Methylcyclopent-2-enone, FEMA 3435, 3-Methylcyclopent-2-en-1-one, 3-methyl-2-cyclopenten-1-one |
| Esol Class | Very soluble |
| Functional Groups | CC1=CC(=O)CC1 |
| Compound Name | 3-Methyl-2-cyclopenten-1-one |
| Kingdom | Organic compounds |
| Exact Mass | 96.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 96.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3 |
| Smiles | CC1=CC(=O)CC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cyclic ketones |
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