4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile

C11H9FN2O — CID 21069896

IUPAC4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(F)cc1N1CCCC1=O
InChIInChI=1S/C11H9FN2O/c12-9-4-3-8(7-13)10(6-9)14-5-1-2-11(14)15/h3-4,6H,1-2,5H2
InChIKeyYTWMSWQULUXCKL-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.82
Rot. Bonds1

About 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile

4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile (PubChem CID 21069896) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile
PubChem CID21069896
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(F)cc1N1CCCC1=O
InChIInChI=1S/C11H9FN2O/c12-9-4-3-8(7-13)10(6-9)14-5-1-2-11(14)15/h3-4,6H,1-2,5H2
InChIKeyYTWMSWQULUXCKL-UHFFFAOYSA-N
XLogP1.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile?
The IUPAC name of 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile (CID 21069896) is 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile is N#Cc1ccc(F)cc1N1CCCC1=O.
What is the InChIKey of 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile?
The InChIKey is YTWMSWQULUXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-9-4-3-8(7-13)10(6-9)14-5-1-2-11(14)15/h3-4,6H,1-2,5H2.
What are the key properties of 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile?
4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile has a molecular weight of 204.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-oxopyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 21069896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).