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

C11H9ClN2O — CID 53416774

IUPAC2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O/c12-10-6-9(4-3-8(10)7-13)14-5-1-2-11(14)15/h3-4,6H,1-2,5H2
InChIKeyYNGGZUVWPSTLIC-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.34
Rot. Bonds1

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

2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile (PubChem CID 53416774) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile
PubChem CID53416774
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O/c12-10-6-9(4-3-8(10)7-13)14-5-1-2-11(14)15/h3-4,6H,1-2,5H2
InChIKeyYNGGZUVWPSTLIC-UHFFFAOYSA-N
XLogP2.34
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042
2-chloro-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]benzonitrile
CID 133345411
2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
CID 79686870
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-chloro-4-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]benzonitrile;ethane;methanol
CID 143759878
5-(2-oxopiperidin-1-yl)-2-propan-2-ylbenzonitrile
CID 176647750
2-chloro-4-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzonitrile
CID 167885887
2-chloro-4-[3,5-dimethyl-4-[[2-oxo-6-(2-oxopyrrolidin-1-yl)-1H-pyridin-3-yl]methyl]pyrazol-1-yl]benzonitrile
CID 68969999
N-(4-chloro-3-cyanophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 86913737
methyl 3-amino-1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-cyanopyrrole-2-carboxylate
CID 168548965
5-amino-2-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53418340
S-[1-(3-chloro-4-cyanophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile?
The IUPAC name of 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile (CID 53416774) is 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile is N#Cc1ccc(N2CCCC2=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile?
The InChIKey is YNGGZUVWPSTLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-6-9(4-3-8(10)7-13)14-5-1-2-11(14)15/h3-4,6H,1-2,5H2.
What are the key properties of 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile?
2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile has a molecular weight of 220.66 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 53416774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).