5-deuterio-1,2,3,4-tetrahydropyridine

C5H9N — CID 175916725

IUPAC5-deuterio-1,2,3,4-tetrahydropyridine
SMILES[2H]C1=CNCCC1
InChIInChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2/i2D
InChIKeyVSWICNJIUPRZIK-VMNATFBRSA-N
MW84.14 g/mol
LogP0.88
Rot. Bonds

About 5-deuterio-1,2,3,4-tetrahydropyridine

5-deuterio-1,2,3,4-tetrahydropyridine (PubChem CID 175916725) has the molecular formula C5H9N and a molecular weight of 84.14 g/mol. Its IUPAC name is 5-deuterio-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-deuterio-1,2,3,4-tetrahydropyridine
PubChem CID175916725
Molecular FormulaC5H9N
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Name5-deuterio-1,2,3,4-tetrahydropyridine
SMILES[2H]C1=CNCCC1
InChIInChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2/i2D
InChIKeyVSWICNJIUPRZIK-VMNATFBRSA-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 ≤ 50084.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-deuterio-1,2,3,4-tetrahydropyridine (CID 175916725) is 5-deuterio-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-deuterio-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-deuterio-1,2,3,4-tetrahydropyridine is [2H]C1=CNCCC1.
What is the InChIKey of 5-deuterio-1,2,3,4-tetrahydropyridine?
The InChIKey is VSWICNJIUPRZIK-VMNATFBRSA-N. The full InChI is InChI=1S/C5H9N/c1-2-4-6-5-3-1/h2,4,6H,1,3,5H2/i2D.
What are the key properties of 5-deuterio-1,2,3,4-tetrahydropyridine?
5-deuterio-1,2,3,4-tetrahydropyridine has a molecular weight of 84.14 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 5-deuterio-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 175916725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).