4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium

C17H20N2+2 — CID 3991760

IUPAC4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium
SMILESC=Cc1cc[n+](CCC[n+]2ccc(C=C)cc2)cc1
InChIInChI=1S/C17H20N2/c1-3-16-6-12-18(13-7-16)10-5-11-19-14-8-17(4-2)9-15-19/h3-4,6-9,12-15H,1-2,5,10-11H2/q+2
InChIKeyQFLLIJRXFBTPJO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.64
Rot. Bonds6

About 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium

4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium (PubChem CID 3991760) has the molecular formula C17H20N2+2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium.

Molecular Properties

Compound Name4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium
PubChem CID3991760
Molecular FormulaC17H20N2+2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium
SMILESC=Cc1cc[n+](CCC[n+]2ccc(C=C)cc2)cc1
InChIInChI=1S/C17H20N2/c1-3-16-6-12-18(13-7-16)10-5-11-19-14-8-17(4-2)9-15-19/h3-4,6-9,12-15H,1-2,5,10-11H2/q+2
InChIKeyQFLLIJRXFBTPJO-UHFFFAOYSA-N
XLogP2.64
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethenylpyridin-1-ium-1-yl)butane-1-sulfonate
CID 146220302
4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium
CID 100917336
bis(trifluoromethylsulfonyl)azanide;1-butyl-4-ethenylpyridin-1-ium
CID 142678504
[(2Z,4Z)-3-ethenyl-5-[3-(4-ethenylpyridin-1-ium-1-yl)propoxy]penta-2,4-dienylidene]azanium
CID 171628665
1-butyl-4-[2-(1-butylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium
CID 85447470
4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium
CID 165392151
(NZ)-N-[[1-[4-[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135765071
3-(4-ethenylpyridin-1-ium-1-yl)-2-hydroxypropane-1-sulfonic acid
CID 146220299
(NZ)-N-[[1-[10-[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135765137
1-(3-sulfanylpropyl)pyridin-1-ium-4-carbaldehyde
CID 143802150
CID 175946212
CID 175946212
(NZ)-N-[[1-[3-(4-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135765102

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium?
The IUPAC name of 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium (CID 3991760) is 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium.
What is the SMILES notation for 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium?
The canonical SMILES for 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium is C=Cc1cc[n+](CCC[n+]2ccc(C=C)cc2)cc1.
What is the InChIKey of 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium?
The InChIKey is QFLLIJRXFBTPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-16-6-12-18(13-7-16)10-5-11-19-14-8-17(4-2)9-15-19/h3-4,6-9,12-15H,1-2,5,10-11H2/q+2.
What are the key properties of 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium?
4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium has a molecular weight of 252.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium is sourced from PubChem (CID 3991760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).