1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione

C14H10N2O5 — CID 69334837

IUPAC1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1CC(c2cccc(N3C(=O)C=CC3=O)c2)C(=O)N1O
InChIInChI=1S/C14H10N2O5/c17-11-4-5-12(18)15(11)9-3-1-2-8(6-9)10-7-13(19)16(21)14(10)20/h1-6,10,21H,7H2
InChIKeyUXFONLRPSBCELK-UHFFFAOYSA-N
MW286.24 g/mol
LogP0.35
Rot. Bonds2

About 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione

1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione (PubChem CID 69334837) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione
PubChem CID69334837
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1CC(c2cccc(N3C(=O)C=CC3=O)c2)C(=O)N1O
InChIInChI=1S/C14H10N2O5/c17-11-4-5-12(18)15(11)9-3-1-2-8(6-9)10-7-13(19)16(21)14(10)20/h1-6,10,21H,7H2
InChIKeyUXFONLRPSBCELK-UHFFFAOYSA-N
XLogP0.35
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
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-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione (CID 69334837) is 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione is O=C1CC(c2cccc(N3C(=O)C=CC3=O)c2)C(=O)N1O.
What is the InChIKey of 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione?
The InChIKey is UXFONLRPSBCELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-11-4-5-12(18)15(11)9-3-1-2-8(6-9)10-7-13(19)16(21)14(10)20/h1-6,10,21H,7H2.
What are the key properties of 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione?
1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 286.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 69334837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).