1-dec-9-enylpyridin-1-ium chloride

C15H24ClN — CID 67583999

IUPAC1-dec-9-enylpyridin-1-ium chloride
SMILESC=CCCCCCCCC[n+]1ccccc1.[Cl-]
InChIInChI=1S/C15H24N.ClH/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;/h2,9,11-12,14-15H,1,3-8,10,13H2;1H/q+1;/p-1
InChIKeyBXLIHNZXOYMFIZ-UHFFFAOYSA-M
MW253.82 g/mol
LogP0.89
Rot. Bonds9

About 1-dec-9-enylpyridin-1-ium chloride

1-dec-9-enylpyridin-1-ium chloride (PubChem CID 67583999) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-dec-9-enylpyridin-1-ium chloride.

Molecular Properties

Compound Name1-dec-9-enylpyridin-1-ium chloride
PubChem CID67583999
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-dec-9-enylpyridin-1-ium chloride
SMILESC=CCCCCCCCC[n+]1ccccc1.[Cl-]
InChIInChI=1S/C15H24N.ClH/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;/h2,9,11-12,14-15H,1,3-8,10,13H2;1H/q+1;/p-1
InChIKeyBXLIHNZXOYMFIZ-UHFFFAOYSA-M
XLogP0.89
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-4-(1-undec-10-enylpyridin-1-ium-4-yl)pyridin-1-ium
CID 72696579
1-methyl-4-(1-undec-10-enylpyridin-1-ium-4-yl)pyridin-1-ium dibromide
CID 72696578
bis(1-hexadecylpyridin-1-ium);prop-2-enoate;chloride
CID 69137862
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
5-pyridin-1-ium-1-ylpentan-1-amine
CID 23422842
azane;1-docosylpyridin-1-ium;chloride;hydrochloride
CID 174856827
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
disodium;1-hexadecylpyridin-1-ium
CID 67644127
perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium
CID 126957010
1-tridecylpyridin-1-ium iodide
CID 71429526

Frequently Asked Questions

What is the IUPAC name of 1-dec-9-enylpyridin-1-ium chloride?
The IUPAC name of 1-dec-9-enylpyridin-1-ium chloride (CID 67583999) is 1-dec-9-enylpyridin-1-ium chloride.
What is the SMILES notation for 1-dec-9-enylpyridin-1-ium chloride?
The canonical SMILES for 1-dec-9-enylpyridin-1-ium chloride is C=CCCCCCCCC[n+]1ccccc1.[Cl-].
What is the InChIKey of 1-dec-9-enylpyridin-1-ium chloride?
The InChIKey is BXLIHNZXOYMFIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24N.ClH/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;/h2,9,11-12,14-15H,1,3-8,10,13H2;1H/q+1;/p-1.
What are the key properties of 1-dec-9-enylpyridin-1-ium chloride?
1-dec-9-enylpyridin-1-ium chloride has a molecular weight of 253.82 g/mol, XLogP of 0.89, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-9-enylpyridin-1-ium chloride is sourced from PubChem (CID 67583999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).