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2-Cyclopenten-1-one

PubChem CID: 13588

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Compound Synonyms 2-CYCLOPENTEN-1-ONE, 930-30-3, 2-Cyclopentenone, cyclopent-2-en-1-one, Cyclopent-2-enone, Cyclopentenone, Cyclopenten-3-one, 3-Cyclopenten-2-one, 2-Cyclopentene-1-one, UNII-Q0U2IGF9CK, 28982-58-3, 2-Cyclopentenone-1, EINECS 213-213-0, MFCD00001401, NSC 73117, NSC-73117, Q0U2IGF9CK, 1-CYCLOPENTEN-3-ONE, 1-CYCLOPENTEN-5-ONE, CHEBI:141550, DTXSID60870802, cyclopent-2-ene-1-one, Cyclopenten-2-one, Cyclopenten-3-one (VAN), 2cyclopentenone, Cyclopenten2one, Cyclopenten3one, cis-cyclopentenone, 1-Cyclopenten-3-one, 1-Cyclopenten-5-one, 2-Cyclopentenone, Cyclopent-2-en-1-one, Cyclopenten-3-one, NSC 73117, 2-cylcopenten-1-one, 2-cyclopenten-1- one, Cyclopenten3one (VAN), CHEMBL52190, 2-Cyclopenten-1-one, 98%, DTXCID90818494, NSC73117, BBL100014, STL183308, AKOS000121108, AKOS025243944, CS-W011359, HY-W010643, PS-9373, SB40642, DB-031967, NS00041822, EN300-24545, Q2292678, F0001-2242, 213-213-0
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 CCC=CC5=O
Heavy Atom Count 6.0
Classyfire Class Organooxygen compounds
Scaffold Graph Node Level OC1CCCC1
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 92.1
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., P09467
Iupac Name cyclopent-2-en-1-one
Prediction Hob 1.0
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 C5H6O
Scaffold Graph Node Bond Level O=C1C=CCC1
Prediction Swissadme 0.0
Inchi Key BZKFMUIJRXWWQK-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.4
Logs -0.39
Rotatable Bond Count 0.0
Logd 0.618
Synonyms 2-Cyclopentenone, Cyclopent-2-enone, Cyclopenten-3-one, Cyclopentenone, cyclopentenone
Esol Class Very soluble
Functional Groups O=C1C=CCC1
Compound Name 2-Cyclopenten-1-one
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 82.0419
Formal Charge 0.0
Monoisotopic Mass 82.0419
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 82.1
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
Esol -0.6892324000000001
Inchi InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
Smiles C1CC(=O)C=C1
Nring 1.0
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Cyclic ketones