1,2,3,4-tetrahydropyridine-3-carbonitrile

C6H8N2 — CID 19093045

IUPAC1,2,3,4-tetrahydropyridine-3-carbonitrile
SMILESN#CC1CC=CNC1
InChIInChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1,3,6,8H,2,5H2
InChIKeyATNKUORYLJHRKS-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.63
Rot. Bonds

About 1,2,3,4-tetrahydropyridine-3-carbonitrile

1,2,3,4-tetrahydropyridine-3-carbonitrile (PubChem CID 19093045) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridine-3-carbonitrile.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridine-3-carbonitrile
PubChem CID19093045
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1,2,3,4-tetrahydropyridine-3-carbonitrile
SMILESN#CC1CC=CNC1
InChIInChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1,3,6,8H,2,5H2
InChIKeyATNKUORYLJHRKS-UHFFFAOYSA-N
XLogP0.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridine-3-carbonitrile?
The IUPAC name of 1,2,3,4-tetrahydropyridine-3-carbonitrile (CID 19093045) is 1,2,3,4-tetrahydropyridine-3-carbonitrile.
What is the SMILES notation for 1,2,3,4-tetrahydropyridine-3-carbonitrile?
The canonical SMILES for 1,2,3,4-tetrahydropyridine-3-carbonitrile is N#CC1CC=CNC1.
What is the InChIKey of 1,2,3,4-tetrahydropyridine-3-carbonitrile?
The InChIKey is ATNKUORYLJHRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1,3,6,8H,2,5H2.
What are the key properties of 1,2,3,4-tetrahydropyridine-3-carbonitrile?
1,2,3,4-tetrahydropyridine-3-carbonitrile has a molecular weight of 108.14 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyridine-3-carbonitrile is sourced from PubChem (CID 19093045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).