1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate

C20H13N3O10 — CID 87060750

IUPAC1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate
SMILESO=C(ON1C(=O)C=CC1=O)c1cc(C(=O)ON2C(=O)CCC2=O)cc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H13N3O10/c24-13-1-2-14(25)21(13)12-8-10(19(30)32-22-15(26)3-4-16(22)27)7-11(9-12)20(31)33-23-17(28)5-6-18(23)29/h3-4,7-9H,1-2,5-6H2
InChIKeyJOTVEEUYJMIBNZ-UHFFFAOYSA-N
MW455.34 g/mol
LogP-0.44
Rot. Bonds5

About 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate

1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate (PubChem CID 87060750) has the molecular formula C20H13N3O10 and a molecular weight of 455.34 g/mol. Its IUPAC name is 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate
PubChem CID87060750
Molecular FormulaC20H13N3O10
Molecular Weight455.34 g/mol
Exact Mass455.06
IUPAC Name1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate
SMILESO=C(ON1C(=O)C=CC1=O)c1cc(C(=O)ON2C(=O)CCC2=O)cc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H13N3O10/c24-13-1-2-14(25)21(13)12-8-10(19(30)32-22-15(26)3-4-16(22)27)7-11(9-12)20(31)33-23-17(28)5-6-18(23)29/h3-4,7-9H,1-2,5-6H2
InChIKeyJOTVEEUYJMIBNZ-UHFFFAOYSA-N
XLogP-0.44
TPSA164.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate?
The IUPAC name of 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate (CID 87060750) is 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate.
What is the SMILES notation for 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate?
The canonical SMILES for 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate is O=C(ON1C(=O)C=CC1=O)c1cc(C(=O)ON2C(=O)CCC2=O)cc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate?
The InChIKey is JOTVEEUYJMIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O10/c24-13-1-2-14(25)21(13)12-8-10(19(30)32-22-15(26)3-4-16(22)27)7-11(9-12)20(31)33-23-17(28)5-6-18(23)29/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate?
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate has a molecular weight of 455.34 g/mol, XLogP of -0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(2,5-dioxopyrrol-1-yl) 5-(2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 87060750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).