[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate

C14H12N2O4 — CID 2628809

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H12N2O4/c15-8-10-3-5-11(6-4-10)14(19)20-9-13(18)16-7-1-2-12(16)17/h3-6H,1-2,7,9H2
InChIKeyWUWXZBALCKAXNN-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.86
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate (PubChem CID 2628809) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate
PubChem CID2628809
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H12N2O4/c15-8-10-3-5-11(6-4-10)14(19)20-9-13(18)16-7-1-2-12(16)17/h3-6H,1-2,7,9H2
InChIKeyWUWXZBALCKAXNN-UHFFFAOYSA-N
XLogP0.86
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
CID 7890817
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate
CID 4885358
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983707
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 2630465
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557461
4-(2-oxopiperidine-1-carbonyl)benzonitrile
CID 141391149
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2380096
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-cyanobenzoate
CID 9201893
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2592617
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952818
cyanomethyl 4-cyanobenzoate
CID 147259846
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988475

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate (CID 2628809) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate is N#Cc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate?
The InChIKey is WUWXZBALCKAXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-8-10-3-5-11(6-4-10)14(19)20-9-13(18)16-7-1-2-12(16)17/h3-6H,1-2,7,9H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate has a molecular weight of 272.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate is sourced from PubChem (CID 2628809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).