1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione

C8H6N2O4 — CID 22168450

IUPAC1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione
SMILESO=C1CC(N2C(=O)C=CC2=O)C(=O)N1
InChIInChI=1S/C8H6N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h1-2,4H,3H2,(H,9,11,14)
InChIKeyGQLHZDPPVJVVDQ-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.67
Rot. Bonds1

About 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione

1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione (PubChem CID 22168450) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione
PubChem CID22168450
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione
SMILESO=C1CC(N2C(=O)C=CC2=O)C(=O)N1
InChIInChI=1S/C8H6N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h1-2,4H,3H2,(H,9,11,14)
InChIKeyGQLHZDPPVJVVDQ-UHFFFAOYSA-N
XLogP-1.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione (CID 22168450) is 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione is O=C1CC(N2C(=O)C=CC2=O)C(=O)N1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione?
The InChIKey is GQLHZDPPVJVVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h1-2,4H,3H2,(H,9,11,14).
What are the key properties of 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione?
1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione has a molecular weight of 194.15 g/mol, XLogP of -1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22168450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).