3,4-dihydropyridin-1-ium

C5H8N+ — CID 152744788

IUPAC3,4-dihydropyridin-1-ium
SMILESC1=C[NH+]=CCC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/p+1
InChIKeyRDOAUPPSCNSYPM-UHFFFAOYSA-O
MW82.13 g/mol
LogP-0.55
Rot. Bonds

About 3,4-dihydropyridin-1-ium

3,4-dihydropyridin-1-ium (PubChem CID 152744788) has the molecular formula C5H8N+ and a molecular weight of 82.13 g/mol. Its IUPAC name is 3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name3,4-dihydropyridin-1-ium
PubChem CID152744788
Molecular FormulaC5H8N+
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name3,4-dihydropyridin-1-ium
SMILESC1=C[NH+]=CCC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/p+1
InChIKeyRDOAUPPSCNSYPM-UHFFFAOYSA-O
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-1-ium?
The IUPAC name of 3,4-dihydropyridin-1-ium (CID 152744788) 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=C[NH+]=CCC1.
What is the InChIKey of 3,4-dihydropyridin-1-ium?
The InChIKey is RDOAUPPSCNSYPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/p+1.
What are the key properties of 3,4-dihydropyridin-1-ium?
3,4-dihydropyridin-1-ium has a molecular weight of 82.13 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 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 152744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).