2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile

C8H9N3 — CID 90810955

IUPAC2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile
SMILESN#CC(C#N)C1=NCCCC1
InChIInChI=1S/C8H9N3/c9-5-7(6-10)8-3-1-2-4-11-8/h7H,1-4H2
InChIKeyXBKKTDYNKAZGAU-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.27
Rot. Bonds1

About 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile

2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile (PubChem CID 90810955) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile
PubChem CID90810955
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile
SMILESN#CC(C#N)C1=NCCCC1
InChIInChI=1S/C8H9N3/c9-5-7(6-10)8-3-1-2-4-11-8/h7H,1-4H2
InChIKeyXBKKTDYNKAZGAU-UHFFFAOYSA-N
XLogP1.27
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile?
The IUPAC name of 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile (CID 90810955) is 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile.
What is the SMILES notation for 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile?
The canonical SMILES for 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile is N#CC(C#N)C1=NCCCC1.
What is the InChIKey of 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile?
The InChIKey is XBKKTDYNKAZGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-5-7(6-10)8-3-1-2-4-11-8/h7H,1-4H2.
What are the key properties of 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile?
2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile has a molecular weight of 147.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile is sourced from PubChem (CID 90810955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).