3-(2,5-dihydropyridin-3-yl)propanenitrile

C8H10N2 — CID 123700703

IUPAC3-(2,5-dihydropyridin-3-yl)propanenitrile
SMILESN#CCCC1=CCC=NC1
InChIInChI=1S/C8H10N2/c9-5-1-3-8-4-2-6-10-7-8/h4,6H,1-3,7H2
InChIKeyGPEFIWUOZCCCGI-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.69
Rot. Bonds2

About 3-(2,5-dihydropyridin-3-yl)propanenitrile

3-(2,5-dihydropyridin-3-yl)propanenitrile (PubChem CID 123700703) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-(2,5-dihydropyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,5-dihydropyridin-3-yl)propanenitrile
PubChem CID123700703
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-(2,5-dihydropyridin-3-yl)propanenitrile
SMILESN#CCCC1=CCC=NC1
InChIInChI=1S/C8H10N2/c9-5-1-3-8-4-2-6-10-7-8/h4,6H,1-3,7H2
InChIKeyGPEFIWUOZCCCGI-UHFFFAOYSA-N
XLogP1.69
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-Dihydropyridin-4-yl)acetonitrile
CID 123602795

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyridin-3-yl)propanenitrile?
The IUPAC name of 3-(2,5-dihydropyridin-3-yl)propanenitrile (CID 123700703) is 3-(2,5-dihydropyridin-3-yl)propanenitrile.
What is the SMILES notation for 3-(2,5-dihydropyridin-3-yl)propanenitrile?
The canonical SMILES for 3-(2,5-dihydropyridin-3-yl)propanenitrile is N#CCCC1=CCC=NC1.
What is the InChIKey of 3-(2,5-dihydropyridin-3-yl)propanenitrile?
The InChIKey is GPEFIWUOZCCCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-5-1-3-8-4-2-6-10-7-8/h4,6H,1-3,7H2.
What are the key properties of 3-(2,5-dihydropyridin-3-yl)propanenitrile?
3-(2,5-dihydropyridin-3-yl)propanenitrile has a molecular weight of 134.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyridin-3-yl)propanenitrile is sourced from PubChem (CID 123700703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).