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

C14H14N+ — CID 1236364

IUPAC1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium
SMILESCc1ccccc1/C=C/[n+]1ccccc1
InChIInChI=1S/C14H14N/c1-13-7-3-4-8-14(13)9-12-15-10-5-2-6-11-15/h2-12H,1H3/q+1/b12-9+
InChIKeyVVUHJOJXSWPXHT-FMIVXFBMSA-N
MW196.27 g/mol
LogP2.91
Rot. Bonds2

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

1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium (PubChem CID 1236364) has the molecular formula C14H14N+ and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium.

Molecular Properties

Compound Name1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium
PubChem CID1236364
Molecular FormulaC14H14N+
Molecular Weight196.27 g/mol
Exact Mass196.11
IUPAC Name1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium
SMILESCc1ccccc1/C=C/[n+]1ccccc1
InChIInChI=1S/C14H14N/c1-13-7-3-4-8-14(13)9-12-15-10-5-2-6-11-15/h2-12H,1H3/q+1/b12-9+
InChIKeyVVUHJOJXSWPXHT-FMIVXFBMSA-N
XLogP2.91
TPSA3.88 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 ≤ 52.91
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

1-[2-(2-nitrophenyl)ethenyl]pyridin-1-ium
CID 4166623
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane
CID 167289774
dimethyl-[(Z)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 11528952
dimethyl-[(E)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 135061713
1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
CID 54473536
N-[(Z)-2-(2-methylphenyl)ethenyl]methanimine
CID 129049120
1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
CID 819537
1-[(E)-2-(2-methylphenyl)ethenyl]cyclopropan-1-amine
CID 105435585
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
(Z)-4-(2-methylphenyl)but-3-enal
CID 117268062

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium?
The IUPAC name of 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium (CID 1236364) is 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium.
What is the SMILES notation for 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium?
The canonical SMILES for 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium is Cc1ccccc1/C=C/[n+]1ccccc1.
What is the InChIKey of 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium?
The InChIKey is VVUHJOJXSWPXHT-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14N/c1-13-7-3-4-8-14(13)9-12-15-10-5-2-6-11-15/h2-12H,1H3/q+1/b12-9+.
What are the key properties of 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium?
1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium has a molecular weight of 196.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium is sourced from PubChem (CID 1236364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).