1-hex-1-en-3-ylpyridin-1-ium iodide

C11H16IN — CID 23454943

IUPAC1-hex-1-en-3-ylpyridin-1-ium iodide
SMILESC=CC(CCC)[n+]1ccccc1.[I-]
InChIInChI=1S/C11H16N.HI/c1-3-8-11(4-2)12-9-6-5-7-10-12;/h4-7,9-11H,2-3,8H2,1H3;1H/q+1;/p-1
InChIKeyDEMYXUOLBFTSMO-UHFFFAOYSA-M
MW289.16 g/mol
LogP-0.49
Rot. Bonds4

About 1-hex-1-en-3-ylpyridin-1-ium iodide

1-hex-1-en-3-ylpyridin-1-ium iodide (PubChem CID 23454943) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-hex-1-en-3-ylpyridin-1-ium iodide.

Molecular Properties

Compound Name1-hex-1-en-3-ylpyridin-1-ium iodide
PubChem CID23454943
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name1-hex-1-en-3-ylpyridin-1-ium iodide
SMILESC=CC(CCC)[n+]1ccccc1.[I-]
InChIInChI=1S/C11H16N.HI/c1-3-8-11(4-2)12-9-6-5-7-10-12;/h4-7,9-11H,2-3,8H2,1H3;1H/q+1;/p-1
InChIKeyDEMYXUOLBFTSMO-UHFFFAOYSA-M
XLogP-0.49
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-iodobutyl)pyridin-1-ium
CID 70023007
CID 88929785
CID 88929785
1-but-3-en-2-ylpyridin-1-ium bromide
CID 23454940
1-(3-ethenyldodecyl)pyridin-1-ium iodide
CID 69119777
4-pyridin-1-ium-1-ylnonan-5-one iodide
CID 71440990
1-heptacosan-13-ylpyridin-1-ium
CID 69395893
1-tetracosan-8-ylpyridin-1-ium
CID 69387406
1-tricosan-6-ylpyridin-1-ium
CID 69386357
1-octacosan-13-ylpyridin-1-ium
CID 69393150
1-propan-2-ylpyridin-1-ium iodide
CID 12045781
1-ethenyl-2-(1-fluorobutyl)benzene
CID 69254975
azane;1-octadecan-9-ylpyridin-1-ium;chloride
CID 173073424

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-3-ylpyridin-1-ium iodide?
The IUPAC name of 1-hex-1-en-3-ylpyridin-1-ium iodide (CID 23454943) is 1-hex-1-en-3-ylpyridin-1-ium iodide.
What is the SMILES notation for 1-hex-1-en-3-ylpyridin-1-ium iodide?
The canonical SMILES for 1-hex-1-en-3-ylpyridin-1-ium iodide is C=CC(CCC)[n+]1ccccc1.[I-].
What is the InChIKey of 1-hex-1-en-3-ylpyridin-1-ium iodide?
The InChIKey is DEMYXUOLBFTSMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N.HI/c1-3-8-11(4-2)12-9-6-5-7-10-12;/h4-7,9-11H,2-3,8H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-hex-1-en-3-ylpyridin-1-ium iodide?
1-hex-1-en-3-ylpyridin-1-ium iodide has a molecular weight of 289.16 g/mol, XLogP of -0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-3-ylpyridin-1-ium iodide is sourced from PubChem (CID 23454943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).