1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one

C12H11NOS — CID 3662945

IUPAC1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one
SMILESC=CCn1c(-c2ccsc2)cccc1=O
InChIInChI=1S/C12H11NOS/c1-2-7-13-11(4-3-5-12(13)14)10-6-8-15-9-10/h2-6,8-9H,1,7H2
InChIKeyPSCBCWBDLHSLSP-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.76
Rot. Bonds3

About 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one

1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one (PubChem CID 3662945) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one.

Molecular Properties

Compound Name1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one
PubChem CID3662945
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one
SMILESC=CCn1c(-c2ccsc2)cccc1=O
InChIInChI=1S/C12H11NOS/c1-2-7-13-11(4-3-5-12(13)14)10-6-8-15-9-10/h2-6,8-9H,1,7H2
InChIKeyPSCBCWBDLHSLSP-UHFFFAOYSA-N
XLogP2.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-6-thiophen-3-ylpyridin-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-prop-2-enyl-6-thiophen-3-ylpyridin-2-one?
The IUPAC name of 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one (CID 3662945) is 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one.
What is the SMILES notation for 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one?
The canonical SMILES for 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one is C=CCn1c(-c2ccsc2)cccc1=O.
What is the InChIKey of 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one?
The InChIKey is PSCBCWBDLHSLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-2-7-13-11(4-3-5-12(13)14)10-6-8-15-9-10/h2-6,8-9H,1,7H2.
What are the key properties of 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one?
1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one has a molecular weight of 217.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-6-thiophen-3-ylpyridin-2-one is sourced from PubChem (CID 3662945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).