1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione

C13H11N3O4 — CID 776408

IUPAC1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(N2C(=O)CCC2=O)n1
InChIInChI=1S/C13H11N3O4/c17-10-4-5-11(18)15(10)8-2-1-3-9(14-8)16-12(19)6-7-13(16)20/h1-3H,4-7H2
InChIKeyJHXAYAXKTJTGQK-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.39
Rot. Bonds2

About 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione

1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione (PubChem CID 776408) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione
PubChem CID776408
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(N2C(=O)CCC2=O)n1
InChIInChI=1S/C13H11N3O4/c17-10-4-5-11(18)15(10)8-2-1-3-9(14-8)16-12(19)6-7-13(16)20/h1-3H,4-7H2
InChIKeyJHXAYAXKTJTGQK-UHFFFAOYSA-N
XLogP0.39
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione (CID 776408) is 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccc(N2C(=O)CCC2=O)n1.
What is the InChIKey of 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione?
The InChIKey is JHXAYAXKTJTGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-10-4-5-11(18)15(10)8-2-1-3-9(14-8)16-12(19)6-7-13(16)20/h1-3H,4-7H2.
What are the key properties of 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione?
1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione has a molecular weight of 273.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-dioxopyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 776408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).