3,4-dihydropyridine

C5H7N — CID 14550603

IUPAC3,4-dihydropyridine
SMILESC1=CN=CCC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2,4-5H,1,3H2
InChIKeyRDOAUPPSCNSYPM-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.36
Rot. Bonds

About 3,4-dihydropyridine

3,4-dihydropyridine (PubChem CID 14550603) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 3,4-dihydropyridine.

Molecular Properties

Compound Name3,4-dihydropyridine
PubChem CID14550603
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name3,4-dihydropyridine
SMILESC1=CN=CCC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2,4-5H,1,3H2
InChIKeyRDOAUPPSCNSYPM-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridine?
The IUPAC name of 3,4-dihydropyridine (CID 14550603) is 3,4-dihydropyridine.
What is the SMILES notation for 3,4-dihydropyridine?
The canonical SMILES for 3,4-dihydropyridine is C1=CN=CCC1.
What is the InChIKey of 3,4-dihydropyridine?
The InChIKey is RDOAUPPSCNSYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2,4-5H,1,3H2.
What are the key properties of 3,4-dihydropyridine?
3,4-dihydropyridine has a molecular weight of 81.12 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridine is sourced from PubChem (CID 14550603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).