5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium

C14H16NS+ — CID 134115103

IUPAC5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium
SMILESCCc1ccc(/C=C/c2cccs2)[n+](C)c1
InChIInChI=1S/C14H16NS/c1-3-12-6-7-13(15(2)11-12)8-9-14-5-4-10-16-14/h4-11H,3H2,1-2H3/q+1/b9-8+
InChIKeyCMZLPDJMHKSQHZ-CMDGGOBGSA-N
MW230.36 g/mol
LogP3.31
Rot. Bonds3

About 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium

5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium (PubChem CID 134115103) has the molecular formula C14H16NS+ and a molecular weight of 230.36 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium
PubChem CID134115103
Molecular FormulaC14H16NS+
Molecular Weight230.36 g/mol
Exact Mass230.10
IUPAC Name5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium
SMILESCCc1ccc(/C=C/c2cccs2)[n+](C)c1
InChIInChI=1S/C14H16NS/c1-3-12-6-7-13(15(2)11-12)8-9-14-5-4-10-16-14/h4-11H,3H2,1-2H3/q+1/b9-8+
InChIKeyCMZLPDJMHKSQHZ-CMDGGOBGSA-N
XLogP3.31
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.31
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

1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium;hydroiodide
CID 126960183
3-ethyl-1-methyl-4-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium iodide
CID 134117174
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
CID 87646999
N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 89344655
(E)-2-thiophen-2-ylethenol
CID 89297537
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium?
The IUPAC name of 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium (CID 134115103) is 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium.
What is the SMILES notation for 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium?
The canonical SMILES for 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium is CCc1ccc(/C=C/c2cccs2)[n+](C)c1.
What is the InChIKey of 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium?
The InChIKey is CMZLPDJMHKSQHZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16NS/c1-3-12-6-7-13(15(2)11-12)8-9-14-5-4-10-16-14/h4-11H,3H2,1-2H3/q+1/b9-8+.
What are the key properties of 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium?
5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium has a molecular weight of 230.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium is sourced from PubChem (CID 134115103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).