1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium

C11H16N+ — CID 123628819

IUPAC1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium
SMILESCC=Cc1cc(C)[n+](C)cc1C
InChIInChI=1S/C11H16N/c1-5-6-11-7-10(3)12(4)8-9(11)2/h5-8H,1-4H3/q+1
InChIKeyPGYCYBYZIYLCOA-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.16
Rot. Bonds1

About 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium

1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium (PubChem CID 123628819) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium.

Molecular Properties

Compound Name1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium
PubChem CID123628819
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Name1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium
SMILESCC=Cc1cc(C)[n+](C)cc1C
InChIInChI=1S/C11H16N/c1-5-6-11-7-10(3)12(4)8-9(11)2/h5-8H,1-4H3/q+1
InChIKeyPGYCYBYZIYLCOA-UHFFFAOYSA-N
XLogP2.16
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,5-trimethyl-4-prop-1-enylpyridin-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

1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
CID 143980341
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
CID 169185434
4-methyl-3-prop-1-enylphenol
CID 59722537
1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene
CID 159527924
1,3,5-trimethyl-2-prop-1-enylbenzene
CID 54520603
1,5-dibromo-2,4-bis(prop-1-enyl)benzene
CID 138976550
4-methoxy-1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 89049645
2-methoxy-5-methyl-4-[(Z)-prop-1-enyl]pyridine
CID 155584892
1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
CID 170552806
CID 153339822
CID 153339822

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium?
The IUPAC name of 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium (CID 123628819) is 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium.
What is the SMILES notation for 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium?
The canonical SMILES for 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium is CC=Cc1cc(C)[n+](C)cc1C.
What is the InChIKey of 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium?
The InChIKey is PGYCYBYZIYLCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-5-6-11-7-10(3)12(4)8-9(11)2/h5-8H,1-4H3/q+1.
What are the key properties of 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium?
1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium has a molecular weight of 162.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium is sourced from PubChem (CID 123628819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).