1-methyl-4-pent-4-enylpyridin-1-ium

C11H16N+ — CID 59152861

IUPAC1-methyl-4-pent-4-enylpyridin-1-ium
SMILESC=CCCCc1cc[n+](C)cc1
InChIInChI=1S/C11H16N/c1-3-4-5-6-11-7-9-12(2)10-8-11/h3,7-10H,1,4-6H2,2H3/q+1
InChIKeyXUDICQYTVCPCAC-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.02
Rot. Bonds4

About 1-methyl-4-pent-4-enylpyridin-1-ium

1-methyl-4-pent-4-enylpyridin-1-ium (PubChem CID 59152861) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-methyl-4-pent-4-enylpyridin-1-ium.

Molecular Properties

Compound Name1-methyl-4-pent-4-enylpyridin-1-ium
PubChem CID59152861
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Name1-methyl-4-pent-4-enylpyridin-1-ium
SMILESC=CCCCc1cc[n+](C)cc1
InChIInChI=1S/C11H16N/c1-3-4-5-6-11-7-9-12(2)10-8-11/h3,7-10H,1,4-6H2,2H3/q+1
InChIKeyXUDICQYTVCPCAC-UHFFFAOYSA-N
XLogP2.02
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pent-4-enylpyridin-1-ium?
The IUPAC name of 1-methyl-4-pent-4-enylpyridin-1-ium (CID 59152861) is 1-methyl-4-pent-4-enylpyridin-1-ium.
What is the SMILES notation for 1-methyl-4-pent-4-enylpyridin-1-ium?
The canonical SMILES for 1-methyl-4-pent-4-enylpyridin-1-ium is C=CCCCc1cc[n+](C)cc1.
What is the InChIKey of 1-methyl-4-pent-4-enylpyridin-1-ium?
The InChIKey is XUDICQYTVCPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-3-4-5-6-11-7-9-12(2)10-8-11/h3,7-10H,1,4-6H2,2H3/q+1.
What are the key properties of 1-methyl-4-pent-4-enylpyridin-1-ium?
1-methyl-4-pent-4-enylpyridin-1-ium has a molecular weight of 162.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pent-4-enylpyridin-1-ium is sourced from PubChem (CID 59152861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).