[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate

C21H17NO5 — CID 8751695

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H17NO5/c23-17(14-7-9-16(10-8-14)22-11-3-6-20(22)24)13-26-21(25)19-12-15-4-1-2-5-18(15)27-19/h1-2,4-5,7-10,12H,3,6,11,13H2
InChIKeyQEKDLYQSFCOGIY-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.60
Rot. Bonds5

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate (PubChem CID 8751695) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
PubChem CID8751695
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H17NO5/c23-17(14-7-9-16(10-8-14)22-11-3-6-20(22)24)13-26-21(25)19-12-15-4-1-2-5-18(15)27-19/h1-2,4-5,7-10,12H,3,6,11,13H2
InChIKeyQEKDLYQSFCOGIY-UHFFFAOYSA-N
XLogP3.60
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 8647555
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 46610663
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46610595
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-thiophen-2-ylpropanoate
CID 8934953

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate (CID 8751695) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate?
The InChIKey is QEKDLYQSFCOGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c23-17(14-7-9-16(10-8-14)22-11-3-6-20(22)24)13-26-21(25)19-12-15-4-1-2-5-18(15)27-19/h1-2,4-5,7-10,12H,3,6,11,13H2.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 8751695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).