(3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one

C19H17NOS2 — CID 155030220

IUPAC(3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one
SMILESC=c1cc(/C=C/c2ccc(-c3cccs3)s2)n(C)c(=O)/c1=C/C
InChIInChI=1S/C19H17NOS2/c1-4-16-13(2)12-14(20(3)19(16)21)7-8-15-9-10-18(23-15)17-6-5-11-22-17/h4-12H,2H2,1,3H3/b8-7+,16-4+
InChIKeySJPLWZDNNHUOPI-VXGXXEOBSA-N
MW339.49 g/mol
LogP3.56
Rot. Bonds3

About (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one

(3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one (PubChem CID 155030220) has the molecular formula C19H17NOS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name(3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one
PubChem CID155030220
Molecular FormulaC19H17NOS2
Molecular Weight339.49 g/mol
Exact Mass339.08
IUPAC Name(3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one
SMILESC=c1cc(/C=C/c2ccc(-c3cccs3)s2)n(C)c(=O)/c1=C/C
InChIInChI=1S/C19H17NOS2/c1-4-16-13(2)12-14(20(3)19(16)21)7-8-15-9-10-18(23-15)17-6-5-11-22-17/h4-12H,2H2,1,3H3/b8-7+,16-4+
InChIKeySJPLWZDNNHUOPI-VXGXXEOBSA-N
XLogP3.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]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 (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one?
The IUPAC name of (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one (CID 155030220) is (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one.
What is the SMILES notation for (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one?
The canonical SMILES for (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one is C=c1cc(/C=C/c2ccc(-c3cccs3)s2)n(C)c(=O)/c1=C/C.
What is the InChIKey of (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one?
The InChIKey is SJPLWZDNNHUOPI-VXGXXEOBSA-N. The full InChI is InChI=1S/C19H17NOS2/c1-4-16-13(2)12-14(20(3)19(16)21)7-8-15-9-10-18(23-15)17-6-5-11-22-17/h4-12H,2H2,1,3H3/b8-7+,16-4+.
What are the key properties of (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one?
(3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one has a molecular weight of 339.49 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1-methyl-4-methylidene-6-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]pyridin-2-one is sourced from PubChem (CID 155030220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).