2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione

C12H8N2O5 — CID 170907328

IUPAC2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
SMILESO=C1CC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C12H8N2O5/c15-7-3-1-2-5-9(7)12(19)14(11(5)18)6-4-8(16)13-10(6)17/h1-3,6,15H,4H2,(H,13,16,17)
InChIKeyRCCWDFRIPXJHML-UHFFFAOYSA-N
MW260.20 g/mol
LogP-0.60
Rot. Bonds1

About 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione

2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione (PubChem CID 170907328) has the molecular formula C12H8N2O5 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
PubChem CID170907328
Molecular FormulaC12H8N2O5
Molecular Weight260.20 g/mol
Exact Mass260.04
IUPAC Name2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
SMILESO=C1CC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C12H8N2O5/c15-7-3-1-2-5-9(7)12(19)14(11(5)18)6-4-8(16)13-10(6)17/h1-3,6,15H,4H2,(H,13,16,17)
InChIKeyRCCWDFRIPXJHML-UHFFFAOYSA-N
XLogP-0.60
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780
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
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The IUPAC name of 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione (CID 170907328) is 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione is O=C1CC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The InChIKey is RCCWDFRIPXJHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-7-3-1-2-5-9(7)12(19)14(11(5)18)6-4-8(16)13-10(6)17/h1-3,6,15H,4H2,(H,13,16,17).
What are the key properties of 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione?
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione has a molecular weight of 260.20 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 170907328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).