2,3-dihydropyridin-1-ium

C5H8N+ — CID 18548301

IUPAC2,3-dihydropyridin-1-ium
SMILESC1=CCC[NH+]=C1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,4H,3,5H2/p+1
InChIKeyNZHIIDNOLFOHSG-UHFFFAOYSA-O
MW82.13 g/mol
LogP-0.90
Rot. Bonds

About 2,3-dihydropyridin-1-ium

2,3-dihydropyridin-1-ium (PubChem CID 18548301) has the molecular formula C5H8N+ and a molecular weight of 82.13 g/mol. Its IUPAC name is 2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name2,3-dihydropyridin-1-ium
PubChem CID18548301
Molecular FormulaC5H8N+
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name2,3-dihydropyridin-1-ium
SMILESC1=CCC[NH+]=C1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,4H,3,5H2/p+1
InChIKeyNZHIIDNOLFOHSG-UHFFFAOYSA-O
XLogP-0.90
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridin-1-ium?
The IUPAC name of 2,3-dihydropyridin-1-ium (CID 18548301) is 2,3-dihydropyridin-1-ium.
What is the SMILES notation for 2,3-dihydropyridin-1-ium?
The canonical SMILES for 2,3-dihydropyridin-1-ium is C1=CCC[NH+]=C1.
What is the InChIKey of 2,3-dihydropyridin-1-ium?
The InChIKey is NZHIIDNOLFOHSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,4H,3,5H2/p+1.
What are the key properties of 2,3-dihydropyridin-1-ium?
2,3-dihydropyridin-1-ium has a molecular weight of 82.13 g/mol, XLogP of -0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridin-1-ium is sourced from PubChem (CID 18548301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).