4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile

C13H12N2O3 — CID 2537162

IUPAC4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C13H12N2O3/c14-8-10-3-5-11(6-4-10)18-9-13(17)15-7-1-2-12(15)16/h3-6H,1-2,7,9H2
InChIKeyGVBNZKNWEXAVJP-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.09
Rot. Bonds3

About 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile

4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile (PubChem CID 2537162) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile
PubChem CID2537162
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C13H12N2O3/c14-8-10-3-5-11(6-4-10)18-9-13(17)15-7-1-2-12(15)16/h3-6H,1-2,7,9H2
InChIKeyGVBNZKNWEXAVJP-UHFFFAOYSA-N
XLogP1.09
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile (CID 2537162) is 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile is N#Cc1ccc(OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile?
The InChIKey is GVBNZKNWEXAVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-8-10-3-5-11(6-4-10)18-9-13(17)15-7-1-2-12(15)16/h3-6H,1-2,7,9H2.
What are the key properties of 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile?
4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile has a molecular weight of 244.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 2537162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).