1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium

C14H14NO+ — CID 67753732

IUPAC1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium
SMILESC=Cc1c(OC)cccc1-[n+]1ccccc1
InChIInChI=1S/C14H14NO/c1-3-12-13(8-7-9-14(12)16-2)15-10-5-4-6-11-15/h3-11H,1H2,2H3/q+1
InChIKeyUDICBINPJUXTHW-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.61
Rot. Bonds3

About 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium

1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium (PubChem CID 67753732) has the molecular formula C14H14NO+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium
PubChem CID67753732
Molecular FormulaC14H14NO+
Molecular Weight212.27 g/mol
Exact Mass212.11
IUPAC Name1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium
SMILESC=Cc1c(OC)cccc1-[n+]1ccccc1
InChIInChI=1S/C14H14NO/c1-3-12-13(8-7-9-14(12)16-2)15-10-5-4-6-11-15/h3-11H,1H2,2H3/q+1
InChIKeyUDICBINPJUXTHW-UHFFFAOYSA-N
XLogP2.61
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-3-methoxybenzaldehyde
CID 10487197
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CID 177056846
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CID 134457567
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 123437927
N-(2-ethenyl-3-methoxyphenyl)-2,2-dimethylpropanamide
CID 20571856
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673
2-ethenoxy-1,3-dimethoxybenzene
CID 66367387
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium?
The IUPAC name of 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium (CID 67753732) is 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium.
What is the SMILES notation for 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium?
The canonical SMILES for 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium is C=Cc1c(OC)cccc1-[n+]1ccccc1.
What is the InChIKey of 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium?
The InChIKey is UDICBINPJUXTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO/c1-3-12-13(8-7-9-14(12)16-2)15-10-5-4-6-11-15/h3-11H,1H2,2H3/q+1.
What are the key properties of 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium?
1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium has a molecular weight of 212.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium is sourced from PubChem (CID 67753732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).