[2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate

C17H15NO7 — CID 90081245

IUPAC[2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate
SMILESCOc1ccc(-c2oc(N3C(=O)CCC3=O)c(OC(C)=O)c2O)cc1
InChIInChI=1S/C17H15NO7/c1-9(19)24-16-14(22)15(10-3-5-11(23-2)6-4-10)25-17(16)18-12(20)7-8-13(18)21/h3-6,22H,7-8H2,1-2H3
InChIKeyOHBANZZOSQIQOH-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.24
Rot. Bonds4

About [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate

[2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate (PubChem CID 90081245) has the molecular formula C17H15NO7 and a molecular weight of 345.31 g/mol. Its IUPAC name is [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate.

Molecular Properties

Compound Name[2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate
PubChem CID90081245
Molecular FormulaC17H15NO7
Molecular Weight345.31 g/mol
Exact Mass345.08
IUPAC Name[2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate
SMILESCOc1ccc(-c2oc(N3C(=O)CCC3=O)c(OC(C)=O)c2O)cc1
InChIInChI=1S/C17H15NO7/c1-9(19)24-16-14(22)15(10-3-5-11(23-2)6-4-10)25-17(16)18-12(20)7-8-13(18)21/h3-6,22H,7-8H2,1-2H3
InChIKeyOHBANZZOSQIQOH-UHFFFAOYSA-N
XLogP2.24
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate?
The IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate (CID 90081245) is [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate.
What is the SMILES notation for [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate?
The canonical SMILES for [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate is COc1ccc(-c2oc(N3C(=O)CCC3=O)c(OC(C)=O)c2O)cc1.
What is the InChIKey of [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate?
The InChIKey is OHBANZZOSQIQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO7/c1-9(19)24-16-14(22)15(10-3-5-11(23-2)6-4-10)25-17(16)18-12(20)7-8-13(18)21/h3-6,22H,7-8H2,1-2H3.
What are the key properties of [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate?
[2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate has a molecular weight of 345.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate is sourced from PubChem (CID 90081245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).