2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium

C16H20N2+2 — CID 67051966

IUPAC2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium
SMILESC=Cc1cc[n+](C)cc1.C=Cc1cccc[n+]1C
InChIInChI=1S/2C8H10N/c1-3-8-4-6-9(2)7-5-8;1-3-8-6-4-5-7-9(8)2/h2*3-7H,1H2,2H3/q2*+1
InChIKeyLSEGRJIRBDMITA-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.31
Rot. Bonds2

About 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium

2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium (PubChem CID 67051966) has the molecular formula C16H20N2+2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium
PubChem CID67051966
Molecular FormulaC16H20N2+2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium
SMILESC=Cc1cc[n+](C)cc1.C=Cc1cccc[n+]1C
InChIInChI=1S/2C8H10N/c1-3-8-4-6-9(2)7-5-8;1-3-8-6-4-5-7-9(8)2/h2*3-7H,1H2,2H3/q2*+1
InChIKeyLSEGRJIRBDMITA-UHFFFAOYSA-N
XLogP2.31
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.31
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-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium?
The IUPAC name of 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium (CID 67051966) is 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium.
What is the SMILES notation for 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium?
The canonical SMILES for 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium is C=Cc1cc[n+](C)cc1.C=Cc1cccc[n+]1C.
What is the InChIKey of 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium?
The InChIKey is LSEGRJIRBDMITA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N/c1-3-8-4-6-9(2)7-5-8;1-3-8-6-4-5-7-9(8)2/h2*3-7H,1H2,2H3/q2*+1.
What are the key properties of 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium?
2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium has a molecular weight of 240.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylpyridin-1-ium;4-ethenyl-1-methylpyridin-1-ium is sourced from PubChem (CID 67051966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).