ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium

C16H20N+ — CID 142017607

IUPACethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
SMILESCC.C[n+]1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N.C2H6/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13;1-2/h2-12H,1H3;1-2H3/q+1;/b8-7+;
InChIKeyFQZNPYDBCDMXBD-USRGLUTNSA-N
MW226.34 g/mol
LogP3.71
Rot. Bonds2

About ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium

ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium (PubChem CID 142017607) has the molecular formula C16H20N+ and a molecular weight of 226.34 g/mol. Its IUPAC name is ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium.

Molecular Properties

Compound Nameethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
PubChem CID142017607
Molecular FormulaC16H20N+
Molecular Weight226.34 g/mol
Exact Mass226.16
IUPAC Nameethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
SMILESCC.C[n+]1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N.C2H6/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13;1-2/h2-12H,1H3;1-2H3/q+1;/b8-7+;
InChIKeyFQZNPYDBCDMXBD-USRGLUTNSA-N
XLogP3.71
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.71
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-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-N-phenylaniline
CID 25157945
4-chlorobenzenesulfonate;bis(1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium);iodide
CID 139077545
1-methyl-4-[(E)-2-[2,3,5,6-tetrabromo-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium
CID 11506100
methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide
CID 139055816
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-methyl-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium
CID 129309736
N,N-dimethylmethanamine;stilbene
CID 174368184
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960038

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium?
The IUPAC name of ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium (CID 142017607) is ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium.
What is the SMILES notation for ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium?
The canonical SMILES for ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium is CC.C[n+]1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium?
The InChIKey is FQZNPYDBCDMXBD-USRGLUTNSA-N. The full InChI is InChI=1S/C14H14N.C2H6/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13;1-2/h2-12H,1H3;1-2H3/q+1;/b8-7+;.
What are the key properties of ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium?
ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium has a molecular weight of 226.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium is sourced from PubChem (CID 142017607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).