2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione

C13H12N2O5 — CID 163373811

IUPAC2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)C(O)=CCC3)C(=O)N1
InChIInChI=1S/C13H12N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h3,7,16H,1-2,4-5H2,(H,14,17,18)
InChIKeyFOEJFFOBEKVYCP-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.31
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione (PubChem CID 163373811) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
PubChem CID163373811
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)C(O)=CCC3)C(=O)N1
InChIInChI=1S/C13H12N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h3,7,16H,1-2,4-5H2,(H,14,17,18)
InChIKeyFOEJFFOBEKVYCP-UHFFFAOYSA-N
XLogP-0.31
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione with MolForge

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Related Compounds

7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione
CID 165055893
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
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
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione
CID 170979392
2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione
CID 156820660
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
CID 88553247
2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione
CID 163267813
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione (CID 163373811) is 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione is O=C1CCC(N2C(=O)C3=C(C2=O)C(O)=CCC3)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione?
The InChIKey is FOEJFFOBEKVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h3,7,16H,1-2,4-5H2,(H,14,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione has a molecular weight of 276.25 g/mol, XLogP of -0.31, 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)-7-hydroxy-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 163373811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).