[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C17H17NO6 — CID 7270223

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)N3CCCC3=O)c(C)c2c1
InChIInChI=1S/C17H17NO6/c1-10-12-8-11(22-2)5-6-13(12)24-16(10)17(21)23-9-15(20)18-7-3-4-14(18)19/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyXJQJVCUXFZYSHE-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.06
Rot. Bonds4

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7270223) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID7270223
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)N3CCCC3=O)c(C)c2c1
InChIInChI=1S/C17H17NO6/c1-10-12-8-11(22-2)5-6-13(12)24-16(10)17(21)23-9-15(20)18-7-3-4-14(18)19/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyXJQJVCUXFZYSHE-UHFFFAOYSA-N
XLogP2.06
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 2411958
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 4537700
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506284
5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18160210
[2-(Methylcarbamoylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2553941
2-(1,3-Dioxoisoindolin-2-yl)ethyl benzofuran-2-carboxylate
CID 730704
[2-Oxo-2-(propylcarbamoylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2555902
[2-(Cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2563328
Ethyl 1-[2-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 4019132
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 4779986
5-Ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester
CID 4780335
[1-(4-Methylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 4786229

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7270223) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCC(=O)N3CCCC3=O)c(C)c2c1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is XJQJVCUXFZYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-10-12-8-11(22-2)5-6-13(12)24-16(10)17(21)23-9-15(20)18-7-3-4-14(18)19/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 331.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7270223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).