[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate

C16H15NO5 — CID 2635251

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12
InChIInChI=1S/C16H15NO5/c1-10-11-5-2-3-6-12(11)22-15(10)16(20)21-9-14(19)17-8-4-7-13(17)18/h2-3,5-6H,4,7-9H2,1H3
InChIKeyKFXDNAUZFJZHJN-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.05
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2635251) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2635251
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12
InChIInChI=1S/C16H15NO5/c1-10-11-5-2-3-6-12(11)22-15(10)16(20)21-9-14(19)17-8-4-7-13(17)18/h2-3,5-6H,4,7-9H2,1H3
InChIKeyKFXDNAUZFJZHJN-UHFFFAOYSA-N
XLogP2.05
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.05
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] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 2635251) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is KFXDNAUZFJZHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-10-11-5-2-3-6-12(11)22-15(10)16(20)21-9-14(19)17-8-4-7-13(17)18/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 2.05, 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] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2635251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).