Q105157030

[object Object]
Name2-hydroxy-5-methylcyclopent-2-en-1-one
WikidataQ105157030
Mol. formulaC6H8O2
CAS registry number-
Mol. weight112.1268

Representations

Temporary LOTUS idLTS0226274
Name2-hydroxy-5-methylcyclopent-2-en-1-one
Canonical SMILESCC1CC=C(O)C1=O
2D SMILESCC1CC=C(O)C1=O
IUPAC name2-hydroxy-5-methylcyclopent-2-en-1-one
InChIInChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h3-4,7H,2H2,1H3
InChIKeyLTMNDGSOQVSRMK-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=CCCC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Glycyrrhiza  Glycyrrhiza glabra Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
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Molecular Properties

Total atom number16
Heavy atom number8
Bond count8
Number of carbons6
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1.71
Alogp0.59
Alogp20.35
Apol 17.4983
Bpol 9.7037
EccentricConnectivityIndexDescriptor 47
FmfDescriptor 0.625
Fsp3 0.5
FragmentComplexityDescriptor 200.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber58
Xlogp 0.878
ZagrebIndex 38
TopoPSA 37.3