2,3-dimethylisoindolo[2,3-a]indol-6-one

C17H13NO — CID 132525982

IUPAC2,3-dimethylisoindolo[2,3-a]indol-6-one
SMILESCc1cc2cc3n(c2cc1C)C(=O)c1ccccc1-3
InChIInChI=1S/C17H13NO/c1-10-7-12-9-16-13-5-3-4-6-14(13)17(19)18(16)15(12)8-11(10)2/h3-9H,1-2H3
InChIKeyGFUOALGMOYTXAO-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.93
Rot. Bonds

About 2,3-dimethylisoindolo[2,3-a]indol-6-one

2,3-dimethylisoindolo[2,3-a]indol-6-one (PubChem CID 132525982) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,3-dimethylisoindolo[2,3-a]indol-6-one.

Molecular Properties

Compound Name2,3-dimethylisoindolo[2,3-a]indol-6-one
PubChem CID132525982
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name2,3-dimethylisoindolo[2,3-a]indol-6-one
SMILESCc1cc2cc3n(c2cc1C)C(=O)c1ccccc1-3
InChIInChI=1S/C17H13NO/c1-10-7-12-9-16-13-5-3-4-6-14(13)17(19)18(16)15(12)8-11(10)2/h3-9H,1-2H3
InChIKeyGFUOALGMOYTXAO-UHFFFAOYSA-N
XLogP3.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethylisoindolo[2,3-a]indol-6-one 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 2,3-dimethylisoindolo[2,3-a]indol-6-one?
The IUPAC name of 2,3-dimethylisoindolo[2,3-a]indol-6-one (CID 132525982) is 2,3-dimethylisoindolo[2,3-a]indol-6-one.
What is the SMILES notation for 2,3-dimethylisoindolo[2,3-a]indol-6-one?
The canonical SMILES for 2,3-dimethylisoindolo[2,3-a]indol-6-one is Cc1cc2cc3n(c2cc1C)C(=O)c1ccccc1-3.
What is the InChIKey of 2,3-dimethylisoindolo[2,3-a]indol-6-one?
The InChIKey is GFUOALGMOYTXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-10-7-12-9-16-13-5-3-4-6-14(13)17(19)18(16)15(12)8-11(10)2/h3-9H,1-2H3.
What are the key properties of 2,3-dimethylisoindolo[2,3-a]indol-6-one?
2,3-dimethylisoindolo[2,3-a]indol-6-one has a molecular weight of 247.30 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylisoindolo[2,3-a]indol-6-one is sourced from PubChem (CID 132525982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).