2-methylpyrrolo[3,4-b]pyridine-5,7-dione

C8H6N2O2 — CID 576930

IUPAC2-methylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1ccc2c(n1)C(=O)NC2=O
InChIInChI=1S/C8H6N2O2/c1-4-2-3-5-6(9-4)8(12)10-7(5)11/h2-3H,1H3,(H,10,11,12)
InChIKeyOYYHUSLZMKYNDS-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.27
Rot. Bonds

About 2-methylpyrrolo[3,4-b]pyridine-5,7-dione

2-methylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 576930) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-methylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name2-methylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID576930
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2-methylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1ccc2c(n1)C(=O)NC2=O
InChIInChI=1S/C8H6N2O2/c1-4-2-3-5-6(9-4)8(12)10-7(5)11/h2-3H,1H3,(H,10,11,12)
InChIKeyOYYHUSLZMKYNDS-UHFFFAOYSA-N
XLogP0.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
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 2-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 2-methylpyrrolo[3,4-b]pyridine-5,7-dione (CID 576930) is 2-methylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 2-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 2-methylpyrrolo[3,4-b]pyridine-5,7-dione is Cc1ccc2c(n1)C(=O)NC2=O.
What is the InChIKey of 2-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is OYYHUSLZMKYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-4-2-3-5-6(9-4)8(12)10-7(5)11/h2-3H,1H3,(H,10,11,12).
What are the key properties of 2-methylpyrrolo[3,4-b]pyridine-5,7-dione?
2-methylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 162.15 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 576930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).