1,2,3,6-tetrahydropyridine-4-carbonitrile

C6H8N2 — CID 55287086

IUPAC1,2,3,6-tetrahydropyridine-4-carbonitrile
SMILESN#CC1=CCNCC1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-4H2
InChIKeyHZGSRKZQSUIURW-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.43
Rot. Bonds

About 1,2,3,6-tetrahydropyridine-4-carbonitrile

1,2,3,6-tetrahydropyridine-4-carbonitrile (PubChem CID 55287086) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-4-carbonitrile.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-4-carbonitrile
PubChem CID55287086
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1,2,3,6-tetrahydropyridine-4-carbonitrile
SMILESN#CC1=CCNCC1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-4H2
InChIKeyHZGSRKZQSUIURW-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-4-carbonitrile?
The IUPAC name of 1,2,3,6-tetrahydropyridine-4-carbonitrile (CID 55287086) is 1,2,3,6-tetrahydropyridine-4-carbonitrile.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-4-carbonitrile?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-4-carbonitrile is N#CC1=CCNCC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-4-carbonitrile?
The InChIKey is HZGSRKZQSUIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-4H2.
What are the key properties of 1,2,3,6-tetrahydropyridine-4-carbonitrile?
1,2,3,6-tetrahydropyridine-4-carbonitrile has a molecular weight of 108.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-4-carbonitrile is sourced from PubChem (CID 55287086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).