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

C13H10N2O5 — CID 89112682

IUPAC(6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)[C@@H]2OC2C=C3)C(=O)N1
InChIInChI=1S/C13H10N2O5/c16-8-4-2-6(11(17)14-8)15-12(18)5-1-3-7-10(20-7)9(5)13(15)19/h1,3,6-7,10H,2,4H2,(H,14,16,17)/t6?,7?,10-/m1/s1
InChIKeyCPEIEMDPLXDOJT-HNQUHTCLSA-N
MW274.23 g/mol
LogP-1.21
Rot. Bonds1

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

(6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione (PubChem CID 89112682) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione.

Molecular Properties

Compound Name(6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione
PubChem CID89112682
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name(6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)[C@@H]2OC2C=C3)C(=O)N1
InChIInChI=1S/C13H10N2O5/c16-8-4-2-6(11(17)14-8)15-12(18)5-1-3-7-10(20-7)9(5)13(15)19/h1,3,6-7,10H,2,4H2,(H,14,16,17)/t6?,7?,10-/m1/s1
InChIKeyCPEIEMDPLXDOJT-HNQUHTCLSA-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'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen
CID 172587369
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-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
CID 88553247
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-(9-chloro-6-oxo-5-azatricyclo[5.2.2.04,8]undeca-1,3,7,10-tetraen-5-yl)piperidine-2,6-dione
CID 175717452
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione
CID 170979392
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811

Frequently Asked Questions

What is the IUPAC name of (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione?
The IUPAC name of (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione (CID 89112682) is (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione.
What is the SMILES notation for (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione?
The canonical SMILES for (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione is O=C1CCC(N2C(=O)C3=C(C2=O)[C@@H]2OC2C=C3)C(=O)N1.
What is the InChIKey of (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione?
The InChIKey is CPEIEMDPLXDOJT-HNQUHTCLSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-8-4-2-6(11(17)14-8)15-12(18)5-1-3-7-10(20-7)9(5)13(15)19/h1,3,6-7,10H,2,4H2,(H,14,16,17)/t6?,7?,10-/m1/s1.
What are the key properties of (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione?
(6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-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 (6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione is sourced from PubChem (CID 89112682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).