6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione

C11H8N4O3 — CID 102037343

IUPAC6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(C(=O)C=[N+]=[N-])N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H8N4O3/c1-6(8(16)5-14-12)15-10(17)7-3-2-4-13-9(7)11(15)18/h2-6H,1H3
InChIKeyKULRAIYOAUBUDT-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.06
Rot. Bonds3

About 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 102037343) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID102037343
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(C(=O)C=[N+]=[N-])N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H8N4O3/c1-6(8(16)5-14-12)15-10(17)7-3-2-4-13-9(7)11(15)18/h2-6H,1H3
InChIKeyKULRAIYOAUBUDT-UHFFFAOYSA-N
XLogP-0.06
TPSA103.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 102037343) is 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione is CC(C(=O)C=[N+]=[N-])N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is KULRAIYOAUBUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c1-6(8(16)5-14-12)15-10(17)7-3-2-4-13-9(7)11(15)18/h2-6H,1H3.
What are the key properties of 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 244.21 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-diazo-3-oxobutan-2-yl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 102037343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).