1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one

C11H9NO2S — CID 680784

IUPAC1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1cccs1
InChIInChI=1S/C11H9NO2S/c13-9(10-4-3-7-15-10)8-12-6-2-1-5-11(12)14/h1-7H,8H2
InChIKeyVHQPRMPXJDVGRC-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one

1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one (PubChem CID 680784) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one
PubChem CID680784
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1cccs1
InChIInChI=1S/C11H9NO2S/c13-9(10-4-3-7-15-10)8-12-6-2-1-5-11(12)14/h1-7H,8H2
InChIKeyVHQPRMPXJDVGRC-UHFFFAOYSA-N
XLogP1.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-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 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
The IUPAC name of 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one (CID 680784) is 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
The canonical SMILES for 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one is O=C(Cn1ccccc1=O)c1cccs1.
What is the InChIKey of 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
The InChIKey is VHQPRMPXJDVGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-9(10-4-3-7-15-10)8-12-6-2-1-5-11(12)14/h1-7H,8H2.
What are the key properties of 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one?
1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one has a molecular weight of 219.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-2-one is sourced from PubChem (CID 680784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).