2-ethenyl-1-methyl-5-propylpyridin-1-ium

C11H16N+ — CID 21486196

IUPAC2-ethenyl-1-methyl-5-propylpyridin-1-ium
SMILESC=Cc1ccc(CCC)c[n+]1C
InChIInChI=1S/C11H16N/c1-4-6-10-7-8-11(5-2)12(3)9-10/h5,7-9H,2,4,6H2,1,3H3/q+1
InChIKeyWVPDTDDFWSUJOU-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.11
Rot. Bonds3

About 2-ethenyl-1-methyl-5-propylpyridin-1-ium

2-ethenyl-1-methyl-5-propylpyridin-1-ium (PubChem CID 21486196) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-5-propylpyridin-1-ium.

Molecular Properties

Compound Name2-ethenyl-1-methyl-5-propylpyridin-1-ium
PubChem CID21486196
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Name2-ethenyl-1-methyl-5-propylpyridin-1-ium
SMILESC=Cc1ccc(CCC)c[n+]1C
InChIInChI=1S/C11H16N/c1-4-6-10-7-8-11(5-2)12(3)9-10/h5,7-9H,2,4,6H2,1,3H3/q+1
InChIKeyWVPDTDDFWSUJOU-UHFFFAOYSA-N
XLogP2.11
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-5-propylpyridin-1-ium?
The IUPAC name of 2-ethenyl-1-methyl-5-propylpyridin-1-ium (CID 21486196) is 2-ethenyl-1-methyl-5-propylpyridin-1-ium.
What is the SMILES notation for 2-ethenyl-1-methyl-5-propylpyridin-1-ium?
The canonical SMILES for 2-ethenyl-1-methyl-5-propylpyridin-1-ium is C=Cc1ccc(CCC)c[n+]1C.
What is the InChIKey of 2-ethenyl-1-methyl-5-propylpyridin-1-ium?
The InChIKey is WVPDTDDFWSUJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-4-6-10-7-8-11(5-2)12(3)9-10/h5,7-9H,2,4,6H2,1,3H3/q+1.
What are the key properties of 2-ethenyl-1-methyl-5-propylpyridin-1-ium?
2-ethenyl-1-methyl-5-propylpyridin-1-ium has a molecular weight of 162.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-5-propylpyridin-1-ium is sourced from PubChem (CID 21486196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).