(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine

C13H15N — CID 89225903

IUPAC(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
SMILESC=Cc1cc(=C/C=C\C)/c(=C\C)cn1
InChIInChI=1S/C13H15N/c1-4-7-8-12-9-13(6-3)14-10-11(12)5-2/h4-10H,3H2,1-2H3/b7-4-,11-5-,12-8-
InChIKeyWHBYAABVWYZIOR-DTZGTQAGSA-N
MW185.27 g/mol
LogP1.88
Rot. Bonds2

About (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine

(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine (PubChem CID 89225903) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine.

Molecular Properties

Compound Name(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
PubChem CID89225903
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
SMILESC=Cc1cc(=C/C=C\C)/c(=C\C)cn1
InChIInChI=1S/C13H15N/c1-4-7-8-12-9-13(6-3)14-10-11(12)5-2/h4-10H,3H2,1-2H3/b7-4-,11-5-,12-8-
InChIKeyWHBYAABVWYZIOR-DTZGTQAGSA-N
XLogP1.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine?
The IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine (CID 89225903) is (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine.
What is the SMILES notation for (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine?
The canonical SMILES for (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine is C=Cc1cc(=C/C=C\C)/c(=C\C)cn1.
What is the InChIKey of (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine?
The InChIKey is WHBYAABVWYZIOR-DTZGTQAGSA-N. The full InChI is InChI=1S/C13H15N/c1-4-7-8-12-9-13(6-3)14-10-11(12)5-2/h4-10H,3H2,1-2H3/b7-4-,11-5-,12-8-.
What are the key properties of (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine?
(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine has a molecular weight of 185.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine is sourced from PubChem (CID 89225903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).