2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane

C15H17N3O4 — CID 164919630

IUPAC2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
SMILESCC.Cc1cc2c(cn1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N3O4.C2H6/c1-6-4-7-8(5-14-6)13(20)16(12(7)19)9-2-3-10(17)15-11(9)18;1-2/h4-5,9H,2-3H2,1H3,(H,15,17,18);1-2H3
InChIKeyOGCFRUYHAZMLAD-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.82
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane

2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane (PubChem CID 164919630) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
PubChem CID164919630
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
SMILESCC.Cc1cc2c(cn1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N3O4.C2H6/c1-6-4-7-8(5-14-6)13(20)16(12(7)19)9-2-3-10(17)15-11(9)18;1-2/h4-5,9H,2-3H2,1H3,(H,15,17,18);1-2H3
InChIKeyOGCFRUYHAZMLAD-UHFFFAOYSA-N
XLogP0.82
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905642
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
2-(2,6-dioxopiperidin-3-yl)-5-(6-methylpyrimidin-4-yl)sulfanylisoindole-1,3-dione
CID 167753951
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
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)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane (CID 164919630) is 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane is CC.Cc1cc2c(cn1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane?
The InChIKey is OGCFRUYHAZMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4.C2H6/c1-6-4-7-8(5-14-6)13(20)16(12(7)19)9-2-3-10(17)15-11(9)18;1-2/h4-5,9H,2-3H2,1H3,(H,15,17,18);1-2H3.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane?
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane has a molecular weight of 303.32 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane is sourced from PubChem (CID 164919630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).