2-ethenyl-1-ethoxypyridin-1-ium

C9H12NO+ — CID 59705421

IUPAC2-ethenyl-1-ethoxypyridin-1-ium
SMILESC=Cc1cccc[n+]1OCC
InChIInChI=1S/C9H12NO/c1-3-9-7-5-6-8-10(9)11-4-2/h3,5-8H,1,4H2,2H3/q+1
InChIKeyGSBLAPAQUODIIQ-UHFFFAOYSA-N
MW150.20 g/mol
LogP1.07
Rot. Bonds3

About 2-ethenyl-1-ethoxypyridin-1-ium

2-ethenyl-1-ethoxypyridin-1-ium (PubChem CID 59705421) has the molecular formula C9H12NO+ and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-ethenyl-1-ethoxypyridin-1-ium.

Molecular Properties

Compound Name2-ethenyl-1-ethoxypyridin-1-ium
PubChem CID59705421
Molecular FormulaC9H12NO+
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC Name2-ethenyl-1-ethoxypyridin-1-ium
SMILESC=Cc1cccc[n+]1OCC
InChIInChI=1S/C9H12NO/c1-3-9-7-5-6-8-10(9)11-4-2/h3,5-8H,1,4H2,2H3/q+1
InChIKeyGSBLAPAQUODIIQ-UHFFFAOYSA-N
XLogP1.07
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-ethoxypyridin-1-ium?
The IUPAC name of 2-ethenyl-1-ethoxypyridin-1-ium (CID 59705421) is 2-ethenyl-1-ethoxypyridin-1-ium.
What is the SMILES notation for 2-ethenyl-1-ethoxypyridin-1-ium?
The canonical SMILES for 2-ethenyl-1-ethoxypyridin-1-ium is C=Cc1cccc[n+]1OCC.
What is the InChIKey of 2-ethenyl-1-ethoxypyridin-1-ium?
The InChIKey is GSBLAPAQUODIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO/c1-3-9-7-5-6-8-10(9)11-4-2/h3,5-8H,1,4H2,2H3/q+1.
What are the key properties of 2-ethenyl-1-ethoxypyridin-1-ium?
2-ethenyl-1-ethoxypyridin-1-ium has a molecular weight of 150.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-ethoxypyridin-1-ium is sourced from PubChem (CID 59705421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).