1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione

C15H12N2O2 — CID 141384491

IUPAC1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
SMILESCc1ccc(CN2C(=O)C(=O)c3cccnc32)cc1
InChIInChI=1S/C15H12N2O2/c1-10-4-6-11(7-5-10)9-17-14-12(3-2-8-16-14)13(18)15(17)19/h2-8H,9H2,1H3
InChIKeyXGAPFZFVTRFKLY-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.12
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione

1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione (PubChem CID 141384491) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
PubChem CID141384491
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
SMILESCc1ccc(CN2C(=O)C(=O)c3cccnc32)cc1
InChIInChI=1S/C15H12N2O2/c1-10-4-6-11(7-5-10)9-17-14-12(3-2-8-16-14)13(18)15(17)19/h2-8H,9H2,1H3
InChIKeyXGAPFZFVTRFKLY-UHFFFAOYSA-N
XLogP2.12
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-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 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione?
The IUPAC name of 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione (CID 141384491) is 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione?
The canonical SMILES for 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione is Cc1ccc(CN2C(=O)C(=O)c3cccnc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione?
The InChIKey is XGAPFZFVTRFKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-4-6-11(7-5-10)9-17-14-12(3-2-8-16-14)13(18)15(17)19/h2-8H,9H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione?
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione has a molecular weight of 252.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione is sourced from PubChem (CID 141384491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).