4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione

C13H10N2O5 — CID 88553247

IUPAC4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
SMILESO=C1CCC(N2C(=O)C3=CC4OC4C=C3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17)
InChIKeyMNALUCRLHVMELD-UHFFFAOYSA-N
MW274.23 g/mol
LogP-1.21
Rot. Bonds1

About 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione

4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione (PubChem CID 88553247) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione.

Molecular Properties

Compound Name4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
PubChem CID88553247
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
SMILESO=C1CCC(N2C(=O)C3=CC4OC4C=C3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17)
InChIKeyMNALUCRLHVMELD-UHFFFAOYSA-N
XLogP-1.21
TPSA96.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione with MolForge

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Related Compounds

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)isoindole-1,3-dione;ethane
CID 91469620
(6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione
CID 89112682
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]boronic acid
CID 177125946
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione?
The IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione (CID 88553247) is 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione.
What is the SMILES notation for 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione?
The canonical SMILES for 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione is O=C1CCC(N2C(=O)C3=CC4OC4C=C3C2=O)C(=O)N1.
What is the InChIKey of 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione?
The InChIKey is MNALUCRLHVMELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17).
What are the key properties of 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione?
4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione has a molecular weight of 274.23 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione is sourced from PubChem (CID 88553247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).