4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one

C11H16O2 — CID 58562804

IUPAC4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one
SMILESO=C1CCC(C2(O)CC=CC2)CC1
InChIInChI=1S/C11H16O2/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h1-2,9,13H,3-8H2
InChIKeyLBRZMZVRZSFHDT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds1

About 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one

4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one (PubChem CID 58562804) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one
PubChem CID58562804
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one
SMILESO=C1CCC(C2(O)CC=CC2)CC1
InChIInChI=1S/C11H16O2/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h1-2,9,13H,3-8H2
InChIKeyLBRZMZVRZSFHDT-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclopent-3-en-1-ylcyclopent-3-en-1-ol
CID 72735362
8a-methyl-2,3,3a,4,5,8-hexahydroazulen-1-one
CID 85377373
methyl 3-(4-oxocyclohexyl)oxetane-3-carboxylate
CID 133054096
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol;4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
CID 159910413
4-(4-hydroxycyclohexyl)cyclohexan-1-one
CID 10198069
2-hydroxy-2-(4-oxocyclohexyl)acetonitrile
CID 57465174
3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one
CID 10405132
10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol
CID 71380044
4-[benzyl(cyclopropyl)amino]cyclohexan-1-one
CID 114762048
4-[3-(1H-pyrrol-3-yl)oxetan-3-yl]cyclohexan-1-one
CID 116874213
4-(dibenzylamino)cyclohexan-1-one;N,N-dibenzyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 159434251
4-(4-oxocyclohexyl)sulfonylcyclohexan-1-one
CID 18359470

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one (CID 58562804) is 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one is O=C1CCC(C2(O)CC=CC2)CC1.
What is the InChIKey of 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one?
The InChIKey is LBRZMZVRZSFHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h1-2,9,13H,3-8H2.
What are the key properties of 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one?
4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclopent-3-en-1-yl)cyclohexan-1-one is sourced from PubChem (CID 58562804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).