2-ethenyl-5-ethylidene-4H-pyridine

C9H11N — CID 91429660

IUPAC2-ethenyl-5-ethylidene-4H-pyridine
SMILESC=CC1=CCC(=CC)C=N1
InChIInChI=1S/C9H11N/c1-3-8-5-6-9(4-2)10-7-8/h3-4,6-7H,2,5H2,1H3
InChIKeyXSPIQOPEUCQPPW-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.48
Rot. Bonds1

About 2-ethenyl-5-ethylidene-4H-pyridine

2-ethenyl-5-ethylidene-4H-pyridine (PubChem CID 91429660) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-ethenyl-5-ethylidene-4H-pyridine.

Molecular Properties

Compound Name2-ethenyl-5-ethylidene-4H-pyridine
PubChem CID91429660
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-ethenyl-5-ethylidene-4H-pyridine
SMILESC=CC1=CCC(=CC)C=N1
InChIInChI=1S/C9H11N/c1-3-8-5-6-9(4-2)10-7-8/h3-4,6-7H,2,5H2,1H3
InChIKeyXSPIQOPEUCQPPW-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
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(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethylidene-4H-pyridine?
The IUPAC name of 2-ethenyl-5-ethylidene-4H-pyridine (CID 91429660) is 2-ethenyl-5-ethylidene-4H-pyridine.
What is the SMILES notation for 2-ethenyl-5-ethylidene-4H-pyridine?
The canonical SMILES for 2-ethenyl-5-ethylidene-4H-pyridine is C=CC1=CCC(=CC)C=N1.
What is the InChIKey of 2-ethenyl-5-ethylidene-4H-pyridine?
The InChIKey is XSPIQOPEUCQPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-3-8-5-6-9(4-2)10-7-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-ethenyl-5-ethylidene-4H-pyridine?
2-ethenyl-5-ethylidene-4H-pyridine has a molecular weight of 133.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethylidene-4H-pyridine is sourced from PubChem (CID 91429660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).