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

C12H9N3O4 — CID 11379908

IUPAC2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccncc3C2=O)C(=O)N1
InChIInChI=1S/C12H9N3O4/c16-9-2-1-8(10(17)14-9)15-11(18)6-3-4-13-5-7(6)12(15)19/h3-5,8H,1-2H2,(H,14,16,17)
InChIKeyQFSZJXRBCXUCMD-UHFFFAOYSA-N
MW259.22 g/mol
LogP-0.52
Rot. Bonds1

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

2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 11379908) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID11379908
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccncc3C2=O)C(=O)N1
InChIInChI=1S/C12H9N3O4/c16-9-2-1-8(10(17)14-9)15-11(18)6-3-4-13-5-7(6)12(15)19/h3-5,8H,1-2H2,(H,14,16,17)
InChIKeyQFSZJXRBCXUCMD-UHFFFAOYSA-N
XLogP-0.52
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 5-0.52
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)pyrrolo[3,4-c]pyridine-1,3-dione with MolForge

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Related Compounds

N-(4-Trifluoromethylnicotinoyl)glycinamide
CID 76965321
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829
3,4-Pyridinedicarboximide
CID 72926
N-(Pyridine-3-carbonyl)-Val-boroPro
CID 71655395
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
2'-Benzylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10615876
3,6-Diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone
CID 59361675
N-[(3R)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 118539378
6-methyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338490
Stk266458
CID 2961649

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 11379908) is 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1CCC(N2C(=O)c3ccncc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is QFSZJXRBCXUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-9-2-1-8(10(17)14-9)15-11(18)6-3-4-13-5-7(6)12(15)19/h3-5,8H,1-2H2,(H,14,16,17).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 259.22 g/mol, XLogP of -0.52, 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)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 11379908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).