(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine

C11H13N — CID 130370242

IUPAC(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
SMILESC/C=C\C=c1\cccn\c1=C\C
InChIInChI=1S/C11H13N/c1-3-5-7-10-8-6-9-12-11(10)4-2/h3-9H,1-2H3/b5-3-,10-7-,11-4+
InChIKeyRVUACOJIRZVZTR-KSRPDZQOSA-N
MW159.23 g/mol
LogP1.24
Rot. Bonds1

About (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine

(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine (PubChem CID 130370242) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine.

Molecular Properties

Compound Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
PubChem CID130370242
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
SMILESC/C=C\C=c1\cccn\c1=C\C
InChIInChI=1S/C11H13N/c1-3-5-7-10-8-6-9-12-11(10)4-2/h3-9H,1-2H3/b5-3-,10-7-,11-4+
InChIKeyRVUACOJIRZVZTR-KSRPDZQOSA-N
XLogP1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine?
The IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine (CID 130370242) is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine.
What is the SMILES notation for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine?
The canonical SMILES for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine is C/C=C\C=c1\cccn\c1=C\C.
What is the InChIKey of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine?
The InChIKey is RVUACOJIRZVZTR-KSRPDZQOSA-N. The full InChI is InChI=1S/C11H13N/c1-3-5-7-10-8-6-9-12-11(10)4-2/h3-9H,1-2H3/b5-3-,10-7-,11-4+.
What are the key properties of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine?
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine has a molecular weight of 159.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine is sourced from PubChem (CID 130370242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).