3,4-dihydropyridin-1-ium

C5H6N+ — CID 152774519

IUPAC3,4-dihydropyridin-1-ium
SMILESC1=CCCC=[N+]=1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h2,5H,1,3H2/q+1
InChIKeyGTOJHBNTGKRTKY-UHFFFAOYSA-N
MW80.11 g/mol
LogP0.14
Rot. Bonds

About 3,4-dihydropyridin-1-ium

3,4-dihydropyridin-1-ium (PubChem CID 152774519) has the molecular formula C5H6N+ and a molecular weight of 80.11 g/mol. Its IUPAC name is 3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name3,4-dihydropyridin-1-ium
PubChem CID152774519
Molecular FormulaC5H6N+
Molecular Weight80.11 g/mol
Exact Mass80.05
IUPAC Name3,4-dihydropyridin-1-ium
SMILESC1=CCCC=[N+]=1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h2,5H,1,3H2/q+1
InChIKeyGTOJHBNTGKRTKY-UHFFFAOYSA-N
XLogP0.14
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.11
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3,4-dihydropyridin-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

3,4-Dihydropyridine
CID 14550603
6-Fluoro-3,4-dihydropyridine
CID 67779683
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
CID 91428814
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
6-Chloro-3,4-dihydropyridine
CID 53812131
6-Bromo-3,4-dihydropyridine
CID 68213020
3,4-Dihydropyridine-6-thiol
CID 89064673
6-Iodo-3,4-dihydropyridine
CID 117646593
Methylidene(penta-3,4-dienylidene)azanium
CID 123384819
CID 140845357
CID 140845357
Potassium 3,4-dihydropyridine-6-thiolate
CID 142053342
1-Azacyclohepta-1,4,5,6-tetraene
CID 144265958

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-1-ium?
The IUPAC name of 3,4-dihydropyridin-1-ium (CID 152774519) is 3,4-dihydropyridin-1-ium.
What is the SMILES notation for 3,4-dihydropyridin-1-ium?
The canonical SMILES for 3,4-dihydropyridin-1-ium is C1=CCCC=[N+]=1.
What is the InChIKey of 3,4-dihydropyridin-1-ium?
The InChIKey is GTOJHBNTGKRTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N/c1-2-4-6-5-3-1/h2,5H,1,3H2/q+1.
What are the key properties of 3,4-dihydropyridin-1-ium?
3,4-dihydropyridin-1-ium has a molecular weight of 80.11 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-1-ium is sourced from PubChem (CID 152774519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).