1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium

C16H18N+ — CID 6147233

IUPAC1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
SMILESCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N/c1-3-17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3/q+1/b9-8+
InChIKeySTPFFXHPRIQRSI-CMDGGOBGSA-N
MW224.33 g/mol
LogP3.47
Rot. Bonds3

About 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium

1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium (PubChem CID 6147233) has the molecular formula C16H18N+ and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
PubChem CID6147233
Molecular FormulaC16H18N+
Molecular Weight224.33 g/mol
Exact Mass224.14
IUPAC Name1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
SMILESCC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N/c1-3-17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3/q+1/b9-8+
InChIKeySTPFFXHPRIQRSI-CMDGGOBGSA-N
XLogP3.47
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 775311
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline bromide
CID 86156832
1-ethyl-4-methylpyridin-1-ium bromide
CID 14358228
1-ethyl-4-[2-[10-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]anthracen-9-yl]ethenyl]pyridin-1-ium
CID 171383774
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethanol;1-ethyl-4-methylpyridin-1-ium
CID 91117915
4-[2-(3,4-dimethoxyphenyl)ethenyl]-1-ethylpyridin-1-ium;hydroiodide
CID 126960054
(E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide
CID 10852014
N,N-didodecyl-4-[(E)-2-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]aniline
CID 173386094
N,N-diethyl-4-[(1E,3E,5E)-6-(1-ethylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 177390544
1-butyl-4-[2-(1-butylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium
CID 85447470

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
The IUPAC name of 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium (CID 6147233) is 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium.
What is the SMILES notation for 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
The canonical SMILES for 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium is CC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
The InChIKey is STPFFXHPRIQRSI-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H18N/c1-3-17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3/q+1/b9-8+.
What are the key properties of 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium has a molecular weight of 224.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium is sourced from PubChem (CID 6147233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).