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

C14H11NO7 — CID 90081579

IUPAC[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2C(=O)CCC2=O)oc(-c2ccco2)c1O
InChIInChI=1S/C14H11NO7/c1-7(16)21-13-11(19)12(8-3-2-6-20-8)22-14(13)15-9(17)4-5-10(15)18/h2-3,6,19H,4-5H2,1H3
InChIKeyYISWXDCTGRMBIR-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.82
Rot. Bonds3

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

[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081579) has the molecular formula C14H11NO7 and a molecular weight of 305.24 g/mol. Its IUPAC name is [2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90081579
Molecular FormulaC14H11NO7
Molecular Weight305.24 g/mol
Exact Mass305.05
IUPAC Name[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2C(=O)CCC2=O)oc(-c2ccco2)c1O
InChIInChI=1S/C14H11NO7/c1-7(16)21-13-11(19)12(8-3-2-6-20-8)22-14(13)15-9(17)4-5-10(15)18/h2-3,6,19H,4-5H2,1H3
InChIKeyYISWXDCTGRMBIR-UHFFFAOYSA-N
XLogP1.82
TPSA110.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.82
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)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (CID 90081579) is [2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(N2C(=O)CCC2=O)oc(-c2ccco2)c1O.
What is the InChIKey of [2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is YISWXDCTGRMBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO7/c1-7(16)21-13-11(19)12(8-3-2-6-20-8)22-14(13)15-9(17)4-5-10(15)18/h2-3,6,19H,4-5H2,1H3.
What are the key properties of [2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 305.24 g/mol, XLogP of 1.82, 3 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)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).