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

C17H17NO6 — CID 7551121

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12
InChIInChI=1S/C17H17NO6/c1-22-9-12-11-5-2-3-6-13(11)24-16(12)17(21)23-10-15(20)18-8-4-7-14(18)19/h2-3,5-6H,4,7-10H2,1H3
InChIKeyJBRUZNBNVCUINA-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.88
Rot. Bonds5

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7551121) 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] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID7551121
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12
InChIInChI=1S/C17H17NO6/c1-22-9-12-11-5-2-3-6-13(11)24-16(12)17(21)23-10-15(20)18-8-4-7-14(18)19/h2-3,5-6H,4,7-10H2,1H3
InChIKeyJBRUZNBNVCUINA-UHFFFAOYSA-N
XLogP1.88
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550891
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18078263
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7552974
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 2310072
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 2310071
3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 18077873
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550857
[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7915554
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551159
[2-(4-ethylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551748
[2-(butylcarbamoylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8955032
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] anthracene-9-carboxylate
CID 3662156

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7551121) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is JBRUZNBNVCUINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-22-9-12-11-5-2-3-6-13(11)24-16(12)17(21)23-10-15(20)18-8-4-7-14(18)19/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 331.32 g/mol, XLogP of 1.88, 5 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] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7551121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).