2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

C15H10N2O3 — CID 79671111

IUPAC2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(=O)c1ccccc1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C15H10N2O3/c1-9(18)10-4-2-3-5-13(10)17-14(19)11-6-7-16-8-12(11)15(17)20/h2-8H,1H3
InChIKeyAHHDCJAKUCCKJF-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.08
Rot. Bonds2

About 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 79671111) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID79671111
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(=O)c1ccccc1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C15H10N2O3/c1-9(18)10-4-2-3-5-13(10)17-14(19)11-6-7-16-8-12(11)15(17)20/h2-8H,1H3
InChIKeyAHHDCJAKUCCKJF-UHFFFAOYSA-N
XLogP2.08
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 79671111) is 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is CC(=O)c1ccccc1N1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is AHHDCJAKUCCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c1-9(18)10-4-2-3-5-13(10)17-14(19)11-6-7-16-8-12(11)15(17)20/h2-8H,1H3.
What are the key properties of 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 266.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 79671111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).