2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione

C15H15N3O4 — CID 138574865

IUPAC2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(C)c1cncc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H15N3O4/c1-7(2)8-5-16-6-9-12(8)15(22)18(14(9)21)10-3-4-11(19)17-13(10)20/h5-7,10H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyGRWASRSGEFPQGN-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.61
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 138574865) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID138574865
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(C)c1cncc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H15N3O4/c1-7(2)8-5-16-6-9-12(8)15(22)18(14(9)21)10-3-4-11(19)17-13(10)20/h5-7,10H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyGRWASRSGEFPQGN-UHFFFAOYSA-N
XLogP0.61
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
2-(2,7-dioxoazepan-3-yl)-4-propan-2-ylisoindole-1,3-dione;molecular hydrogen
CID 142590623
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(1-iodoethyl)isoindole-1,3-dione
CID 174269765
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
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
6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione
CID 164919735
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
CID 164919630
6-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)-4-methylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138046345

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione (CID 138574865) is 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione is CC(C)c1cncc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is GRWASRSGEFPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-7(2)8-5-16-6-9-12(8)15(22)18(14(9)21)10-3-4-11(19)17-13(10)20/h5-7,10H,3-4H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 301.30 g/mol, XLogP of 0.61, 2 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)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 138574865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).