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

C11H9ClN2O2 — CID 168703507

IUPAC5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CC(O)CC1=O
InChIInChI=1S/C11H9ClN2O2/c12-8-1-2-10(7(3-8)5-13)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2
InChIKeyJLGMEABXLZFCMR-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.31
Rot. Bonds1

About 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile

5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile (PubChem CID 168703507) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
PubChem CID168703507
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CC(O)CC1=O
InChIInChI=1S/C11H9ClN2O2/c12-8-1-2-10(7(3-8)5-13)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2
InChIKeyJLGMEABXLZFCMR-UHFFFAOYSA-N
XLogP1.31
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(4-ethynyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168502365
[1-(4-chloro-2-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674147
methyl 3-cyano-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702170
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-chlorobenzonitrile
CID 168657932
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703303
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 107801564
2-amino-6-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703514
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703363
5-chloro-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62918333
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703206
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703343
5-chloro-2-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]benzonitrile
CID 125183702

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The IUPAC name of 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile (CID 168703507) is 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile is N#Cc1cc(Cl)ccc1N1CC(O)CC1=O.
What is the InChIKey of 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
The InChIKey is JLGMEABXLZFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-8-1-2-10(7(3-8)5-13)14-6-9(15)4-11(14)16/h1-3,9,15H,4,6H2.
What are the key properties of 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile?
5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile has a molecular weight of 236.66 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 168703507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).