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

C15H13NO5 — CID 7193769

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2o1
InChIInChI=1S/C15H13NO5/c17-13-6-3-7-16(13)14(18)9-20-15(19)12-8-10-4-1-2-5-11(10)21-12/h1-2,4-5,8H,3,6-7,9H2
InChIKeySJRHGSFHGYYKHU-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.74
Rot. Bonds3

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193769) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate
PubChem CID7193769
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2o1
InChIInChI=1S/C15H13NO5/c17-13-6-3-7-16(13)14(18)9-20-15(19)12-8-10-4-1-2-5-11(10)21-12/h1-2,4-5,8H,3,6-7,9H2
InChIKeySJRHGSFHGYYKHU-UHFFFAOYSA-N
XLogP1.74
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate (CID 7193769) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate is O=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2o1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate?
The InChIKey is SJRHGSFHGYYKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c17-13-6-3-7-16(13)14(18)9-20-15(19)12-8-10-4-1-2-5-11(10)21-12/h1-2,4-5,8H,3,6-7,9H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-benzofuran-2-carboxylate has a molecular weight of 287.27 g/mol, XLogP of 1.74, 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] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).