2-(1-methylindol-5-yl)-3H-isoindol-1-one

C17H14N2O — CID 59543218

IUPAC2-(1-methylindol-5-yl)-3H-isoindol-1-one
SMILESCn1ccc2cc(N3Cc4ccccc4C3=O)ccc21
InChIInChI=1S/C17H14N2O/c1-18-9-8-12-10-14(6-7-16(12)18)19-11-13-4-2-3-5-15(13)17(19)20/h2-10H,11H2,1H3
InChIKeyTXUJNGOGIKTHCC-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.34
Rot. Bonds1

About 2-(1-methylindol-5-yl)-3H-isoindol-1-one

2-(1-methylindol-5-yl)-3H-isoindol-1-one (PubChem CID 59543218) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-3H-isoindol-1-one
PubChem CID59543218
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(1-methylindol-5-yl)-3H-isoindol-1-one
SMILESCn1ccc2cc(N3Cc4ccccc4C3=O)ccc21
InChIInChI=1S/C17H14N2O/c1-18-9-8-12-10-14(6-7-16(12)18)19-11-13-4-2-3-5-15(13)17(19)20/h2-10H,11H2,1H3
InChIKeyTXUJNGOGIKTHCC-UHFFFAOYSA-N
XLogP3.34
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-methylindol-5-yl)-3H-isoindol-1-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-(1-methylindol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(1-methylindol-5-yl)-3H-isoindol-1-one (CID 59543218) is 2-(1-methylindol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(1-methylindol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(1-methylindol-5-yl)-3H-isoindol-1-one is Cn1ccc2cc(N3Cc4ccccc4C3=O)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)-3H-isoindol-1-one?
The InChIKey is TXUJNGOGIKTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-18-9-8-12-10-14(6-7-16(12)18)19-11-13-4-2-3-5-15(13)17(19)20/h2-10H,11H2,1H3.
What are the key properties of 2-(1-methylindol-5-yl)-3H-isoindol-1-one?
2-(1-methylindol-5-yl)-3H-isoindol-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 59543218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).