(Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one

C13H18O2 — CID 102434518

IUPAC(Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one
SMILESC=C(C1=CCCCC1)/C(C(C)=O)=C(\C)O
InChIInChI=1S/C13H18O2/c1-9(12-7-5-4-6-8-12)13(10(2)14)11(3)15/h7,14H,1,4-6,8H2,2-3H3/b13-10-
InChIKeyJQKPUDFMIBOTEO-RAXLEYEMSA-N
MW206.28 g/mol
LogP3.46
Rot. Bonds3

About (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one

(Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one (PubChem CID 102434518) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one
PubChem CID102434518
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one
SMILESC=C(C1=CCCCC1)/C(C(C)=O)=C(\C)O
InChIInChI=1S/C13H18O2/c1-9(12-7-5-4-6-8-12)13(10(2)14)11(3)15/h7,14H,1,4-6,8H2,2-3H3/b13-10-
InChIKeyJQKPUDFMIBOTEO-RAXLEYEMSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one (CID 102434518) is (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one is C=C(C1=CCCCC1)/C(C(C)=O)=C(\C)O.
What is the InChIKey of (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one?
The InChIKey is JQKPUDFMIBOTEO-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(12-7-5-4-6-8-12)13(10(2)14)11(3)15/h7,14H,1,4-6,8H2,2-3H3/b13-10-.
What are the key properties of (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one?
(Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-(cyclohexen-1-yl)ethenyl]-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 102434518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).