7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone

C19H15N3O6 — CID 172549870

IUPAC7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
SMILESO=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CC2C(=O)NC(=O)C2C4)C(=O)N1
InChIInChI=1S/C19H15N3O6/c23-14-2-1-13(17(26)20-14)22-18(27)11-5-7-3-9-10(16(25)21-15(9)24)4-8(7)6-12(11)19(22)28/h5-6,9-10,13H,1-4H2,(H,20,23,26)(H,21,24,25)
InChIKeyUDGBZHMWDIFNPZ-UHFFFAOYSA-N
MW381.34 g/mol
LogP-0.92
Rot. Bonds1

About 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone

7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone (PubChem CID 172549870) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone.

Molecular Properties

Compound Name7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
PubChem CID172549870
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
SMILESO=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CC2C(=O)NC(=O)C2C4)C(=O)N1
InChIInChI=1S/C19H15N3O6/c23-14-2-1-13(17(26)20-14)22-18(27)11-5-7-3-9-10(16(25)21-15(9)24)4-8(7)6-12(11)19(22)28/h5-6,9-10,13H,1-4H2,(H,20,23,26)(H,21,24,25)
InChIKeyUDGBZHMWDIFNPZ-UHFFFAOYSA-N
XLogP-0.92
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
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
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
6-chloro-2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905642
8-[(3R)-2,6-dioxopiperidin-3-yl]-2,3,4,5-tetrahydropyrrolo[3,4-h][1,4]benzoxazepine-7,9-dione
CID 164920224

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
The IUPAC name of 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone (CID 172549870) is 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone.
What is the SMILES notation for 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
The canonical SMILES for 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CC2C(=O)NC(=O)C2C4)C(=O)N1.
What is the InChIKey of 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
The InChIKey is UDGBZHMWDIFNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c23-14-2-1-13(17(26)20-14)22-18(27)11-5-7-3-9-10(16(25)21-15(9)24)4-8(7)6-12(11)19(22)28/h5-6,9-10,13H,1-4H2,(H,20,23,26)(H,21,24,25).
What are the key properties of 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone has a molecular weight of 381.34 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone is sourced from PubChem (CID 172549870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).