2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione

C13H10N2O5 — CID 91591952

IUPAC2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1O
InChIInChI=1S/C13H10N2O5/c16-9-5-8(10(17)14-11(9)18)15-12(19)6-3-1-2-4-7(6)13(15)20/h1-4,8,11,18H,5H2,(H,14,17)
InChIKeySHCAWXCZHVEGLB-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.94
Rot. Bonds1

About 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione

2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 91591952) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID91591952
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1O
InChIInChI=1S/C13H10N2O5/c16-9-5-8(10(17)14-11(9)18)15-12(19)6-3-1-2-4-7(6)13(15)20/h1-4,8,11,18H,5H2,(H,14,17)
InChIKeySHCAWXCZHVEGLB-UHFFFAOYSA-N
XLogP-0.94
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 ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
CID 142755205
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 170907328

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 91591952) is 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1O.
What is the InChIKey of 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is SHCAWXCZHVEGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-9-5-8(10(17)14-11(9)18)15-12(19)6-3-1-2-4-7(6)13(15)20/h1-4,8,11,18H,5H2,(H,14,17).
What are the key properties of 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione?
2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 274.23 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 91591952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).