4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine

C15H15NO2 — CID 703616

IUPAC4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2ccncc2)cc1OC
InChIInChI=1S/C15H15NO2/c1-17-14-6-5-13(11-15(14)18-2)4-3-12-7-9-16-10-8-12/h3-11H,1-2H3/b4-3+
InChIKeyKMWDDWVXVLCLMH-ONEGZZNKSA-N
MW241.29 g/mol
LogP3.27
Rot. Bonds4

About 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine

4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine (PubChem CID 703616) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine
PubChem CID703616
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine
SMILESCOc1ccc(/C=C/c2ccncc2)cc1OC
InChIInChI=1S/C15H15NO2/c1-17-14-6-5-13(11-15(14)18-2)4-3-12-7-9-16-10-8-12/h3-11H,1-2H3/b4-3+
InChIKeyKMWDDWVXVLCLMH-ONEGZZNKSA-N
XLogP3.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine (CID 703616) is 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine is COc1ccc(/C=C/c2ccncc2)cc1OC.
What is the InChIKey of 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine?
The InChIKey is KMWDDWVXVLCLMH-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H15NO2/c1-17-14-6-5-13(11-15(14)18-2)4-3-12-7-9-16-10-8-12/h3-11H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine?
4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine has a molecular weight of 241.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 703616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).