2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

C13H10N2O5 — CID 11778087

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
InChIKeyXMPJICVFSDYOEG-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.21
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione (PubChem CID 11778087) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
PubChem CID11778087
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
InChIKeyXMPJICVFSDYOEG-UHFFFAOYSA-N
XLogP-0.21
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
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 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione (CID 11778087) is 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The InChIKey is XMPJICVFSDYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione has a molecular weight of 274.23 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 11778087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).