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

C14H14N+ — CID 102059663

IUPAC4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
SMILESCc1ccc(/C=C/c2cc[nH+]cc2)cc1
InChIInChI=1S/C14H13N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-11H,1H3/p+1/b7-6+
InChIKeyGQLIWGHJUSUIRN-VOTSOKGWSA-O
MW196.27 g/mol
LogP2.98
Rot. Bonds2

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

4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium (PubChem CID 102059663) has the molecular formula C14H14N+ and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium.

Molecular Properties

Compound Name4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
PubChem CID102059663
Molecular FormulaC14H14N+
Molecular Weight196.27 g/mol
Exact Mass196.11
IUPAC Name4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
SMILESCc1ccc(/C=C/c2cc[nH+]cc2)cc1
InChIInChI=1S/C14H13N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-11H,1H3/p+1/b7-6+
InChIKeyGQLIWGHJUSUIRN-VOTSOKGWSA-O
XLogP2.98
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium dinitrate
CID 139070781
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 141387094
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 18763193

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
The IUPAC name of 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium (CID 102059663) is 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium.
What is the SMILES notation for 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
The canonical SMILES for 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium is Cc1ccc(/C=C/c2cc[nH+]cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
The InChIKey is GQLIWGHJUSUIRN-VOTSOKGWSA-O. The full InChI is InChI=1S/C14H13N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-11H,1H3/p+1/b7-6+.
What are the key properties of 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium?
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium has a molecular weight of 196.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium is sourced from PubChem (CID 102059663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).