5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one

C11H12O2S — CID 70096879

IUPAC5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one
SMILESO=C1C=C(C(=O)C2C=CCCC2)SC1
InChIInChI=1S/C11H12O2S/c12-9-6-10(14-7-9)11(13)8-4-2-1-3-5-8/h2,4,6,8H,1,3,5,7H2
InChIKeyWQJCMYDFQFFWEJ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.11
Rot. Bonds2

About 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one

5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one (PubChem CID 70096879) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one.

Molecular Properties

Compound Name5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one
PubChem CID70096879
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one
SMILESO=C1C=C(C(=O)C2C=CCCC2)SC1
InChIInChI=1S/C11H12O2S/c12-9-6-10(14-7-9)11(13)8-4-2-1-3-5-8/h2,4,6,8H,1,3,5,7H2
InChIKeyWQJCMYDFQFFWEJ-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-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 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one?
The IUPAC name of 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one (CID 70096879) is 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one.
What is the SMILES notation for 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one?
The canonical SMILES for 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one is O=C1C=C(C(=O)C2C=CCCC2)SC1.
What is the InChIKey of 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one?
The InChIKey is WQJCMYDFQFFWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c12-9-6-10(14-7-9)11(13)8-4-2-1-3-5-8/h2,4,6,8H,1,3,5,7H2.
What are the key properties of 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one?
5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one has a molecular weight of 208.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-2-ene-1-carbonyl)thiophen-3-one is sourced from PubChem (CID 70096879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).