(2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate

C9H6N2O6 — CID 22389997

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C9H6N2O6/c12-5-1-2-6(13)10(5)9(16)17-11-7(14)3-4-8(11)15/h1-2H,3-4H2
InChIKeyWSGHFCUXFRXSMK-UHFFFAOYSA-N
MW238.15 g/mol
LogP-0.89
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate (PubChem CID 22389997) has the molecular formula C9H6N2O6 and a molecular weight of 238.15 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate
PubChem CID22389997
Molecular FormulaC9H6N2O6
Molecular Weight238.15 g/mol
Exact Mass238.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C9H6N2O6/c12-5-1-2-6(13)10(5)9(16)17-11-7(14)3-4-8(11)15/h1-2H,3-4H2
InChIKeyWSGHFCUXFRXSMK-UHFFFAOYSA-N
XLogP-0.89
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate (CID 22389997) is (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate is O=C1CCC(=O)N1OC(=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
The InChIKey is WSGHFCUXFRXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O6/c12-5-1-2-6(13)10(5)9(16)17-11-7(14)3-4-8(11)15/h1-2H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate has a molecular weight of 238.15 g/mol, XLogP of -0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,5-dioxopyrrole-1-carboxylate is sourced from PubChem (CID 22389997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).