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

C11H12N2O2 — CID 1262710

IUPAC6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(C)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H12N2O2/c1-7(2)6-13-10(14)8-4-3-5-12-9(8)11(13)15/h3-5,7H,6H2,1-2H3
InChIKeyGDRKAYAUPBZKEF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.33
Rot. Bonds2

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

6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 1262710) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID1262710
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(C)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H12N2O2/c1-7(2)6-13-10(14)8-4-3-5-12-9(8)11(13)15/h3-5,7H,6H2,1-2H3
InChIKeyGDRKAYAUPBZKEF-UHFFFAOYSA-N
XLogP1.33
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 1262710) is 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione is CC(C)CN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is GDRKAYAUPBZKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)6-13-10(14)8-4-3-5-12-9(8)11(13)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 204.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 1262710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).