[5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate

C18H17NO8 — CID 90081104

IUPAC[5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCOc1ccc(-c2oc(N3C(=O)CCC3=O)c(OC(C)=O)c2O)cc1OC
InChIInChI=1S/C18H17NO8/c1-9(20)26-17-15(23)16(10-4-5-11(24-2)12(8-10)25-3)27-18(17)19-13(21)6-7-14(19)22/h4-5,8,23H,6-7H2,1-3H3
InChIKeyARANKNITFUEGST-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.25
Rot. Bonds5

About [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate

[5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081104) has the molecular formula C18H17NO8 and a molecular weight of 375.33 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90081104
Molecular FormulaC18H17NO8
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name[5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCOc1ccc(-c2oc(N3C(=O)CCC3=O)c(OC(C)=O)c2O)cc1OC
InChIInChI=1S/C18H17NO8/c1-9(20)26-17-15(23)16(10-4-5-11(24-2)12(8-10)25-3)27-18(17)19-13(21)6-7-14(19)22/h4-5,8,23H,6-7H2,1-3H3
InChIKeyARANKNITFUEGST-UHFFFAOYSA-N
XLogP2.25
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate (CID 90081104) is [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate is COc1ccc(-c2oc(N3C(=O)CCC3=O)c(OC(C)=O)c2O)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is ARANKNITFUEGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO8/c1-9(20)26-17-15(23)16(10-4-5-11(24-2)12(8-10)25-3)27-18(17)19-13(21)6-7-14(19)22/h4-5,8,23H,6-7H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate?
[5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 375.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).