1,2,3,4-tetrahydropyridine

C5H9N — CID 10176084

IUPAC1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1
InChIInChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2
InChIKeyVSWICNJIUPRZIK-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.88
Rot. Bonds

About 1,2,3,4-tetrahydropyridine

1,2,3,4-tetrahydropyridine (PubChem CID 10176084) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridine
PubChem CID10176084
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1
InChIInChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2
InChIKeyVSWICNJIUPRZIK-UHFFFAOYSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridine?
The IUPAC name of 1,2,3,4-tetrahydropyridine (CID 10176084) is 1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 1,2,3,4-tetrahydropyridine?
The canonical SMILES for 1,2,3,4-tetrahydropyridine is C1=CNCCC1.
What is the InChIKey of 1,2,3,4-tetrahydropyridine?
The InChIKey is VSWICNJIUPRZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2.
What are the key properties of 1,2,3,4-tetrahydropyridine?
1,2,3,4-tetrahydropyridine has a molecular weight of 83.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 10176084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).