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

C8H7N2O5+ — CID 173321852

IUPAC1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CC(=O)[NH+](O)C1=O
InChIInChI=1S/C8H6N2O5/c11-5-1-2-6(12)9(5)4-3-7(13)10(15)8(4)14/h1-2,4,15H,3H2/p+1
InChIKeyIXCOVHIIBFIPCK-UHFFFAOYSA-O
MW211.15 g/mol
LogP-2.99
Rot. Bonds1

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

1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione (PubChem CID 173321852) has the molecular formula C8H7N2O5+ and a molecular weight of 211.15 g/mol. Its IUPAC name is 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione
PubChem CID173321852
Molecular FormulaC8H7N2O5+
Molecular Weight211.15 g/mol
Exact Mass211.03
IUPAC Name1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CC(=O)[NH+](O)C1=O
InChIInChI=1S/C8H6N2O5/c11-5-1-2-6(12)9(5)4-3-7(13)10(15)8(4)14/h1-2,4,15H,3H2/p+1
InChIKeyIXCOVHIIBFIPCK-UHFFFAOYSA-O
XLogP-2.99
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-2.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione (CID 173321852) is 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C1CC(=O)[NH+](O)C1=O.
What is the InChIKey of 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione?
The InChIKey is IXCOVHIIBFIPCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6N2O5/c11-5-1-2-6(12)9(5)4-3-7(13)10(15)8(4)14/h1-2,4,15H,3H2/p+1.
What are the key properties of 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione?
1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione has a molecular weight of 211.15 g/mol, XLogP of -2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 173321852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).