[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

C19H19NO5 — CID 4779986

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)N1CCCC1=O
InChIInChI=1S/C19H19NO5/c21-17-5-2-6-20(17)18(22)11-25-19(23)9-14-10-24-16-8-13-4-1-3-12(13)7-15(14)16/h7-8,10H,1-6,9,11H2
InChIKeyQFEBMHYPTICLFH-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.16
Rot. Bonds4

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (PubChem CID 4779986) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
PubChem CID4779986
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)N1CCCC1=O
InChIInChI=1S/C19H19NO5/c21-17-5-2-6-20(17)18(22)11-25-19(23)9-14-10-24-16-8-13-4-1-3-12(13)7-15(14)16/h7-8,10H,1-6,9,11H2
InChIKeyQFEBMHYPTICLFH-UHFFFAOYSA-N
XLogP2.16
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.16
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] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (CID 4779986) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The InChIKey is QFEBMHYPTICLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-17-5-2-6-20(17)18(22)11-25-19(23)9-14-10-24-16-8-13-4-1-3-12(13)7-15(14)16/h7-8,10H,1-6,9,11H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate has a molecular weight of 341.36 g/mol, XLogP of 2.16, 4 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] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is sourced from PubChem (CID 4779986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).