2-(2-oxo-1H-pyridin-3-yl)propanenitrile

C8H8N2O — CID 171567137

IUPAC2-(2-oxo-1H-pyridin-3-yl)propanenitrile
SMILESCC(C#N)c1ccc[nH]c1=O
InChIInChI=1S/C8H8N2O/c1-6(5-9)7-3-2-4-10-8(7)11/h2-4,6H,1H3,(H,10,11)
InChIKeyMFIWQVRPVMRFGH-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.00
Rot. Bonds1

About 2-(2-oxo-1H-pyridin-3-yl)propanenitrile

2-(2-oxo-1H-pyridin-3-yl)propanenitrile (PubChem CID 171567137) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-oxo-1H-pyridin-3-yl)propanenitrile
PubChem CID171567137
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(2-oxo-1H-pyridin-3-yl)propanenitrile
SMILESCC(C#N)c1ccc[nH]c1=O
InChIInChI=1S/C8H8N2O/c1-6(5-9)7-3-2-4-10-8(7)11/h2-4,6H,1H3,(H,10,11)
InChIKeyMFIWQVRPVMRFGH-UHFFFAOYSA-N
XLogP1.00
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-pyridin-3-yl)propanenitrile?
The IUPAC name of 2-(2-oxo-1H-pyridin-3-yl)propanenitrile (CID 171567137) is 2-(2-oxo-1H-pyridin-3-yl)propanenitrile.
What is the SMILES notation for 2-(2-oxo-1H-pyridin-3-yl)propanenitrile?
The canonical SMILES for 2-(2-oxo-1H-pyridin-3-yl)propanenitrile is CC(C#N)c1ccc[nH]c1=O.
What is the InChIKey of 2-(2-oxo-1H-pyridin-3-yl)propanenitrile?
The InChIKey is MFIWQVRPVMRFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6(5-9)7-3-2-4-10-8(7)11/h2-4,6H,1H3,(H,10,11).
What are the key properties of 2-(2-oxo-1H-pyridin-3-yl)propanenitrile?
2-(2-oxo-1H-pyridin-3-yl)propanenitrile has a molecular weight of 148.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyridin-3-yl)propanenitrile is sourced from PubChem (CID 171567137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).