6H-indole-3,5-dione

C8H5NO2 — CID 68606814

IUPAC6H-indole-3,5-dione
SMILESO=C1C=C2C(=O)C=NC2=CC1
InChIInChI=1S/C8H5NO2/c10-5-1-2-7-6(3-5)8(11)4-9-7/h2-4H,1H2
InChIKeyGNFGCBNFTHWXHB-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.42
Rot. Bonds

About 6H-indole-3,5-dione

6H-indole-3,5-dione (PubChem CID 68606814) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is 6H-indole-3,5-dione.

Molecular Properties

Compound Name6H-indole-3,5-dione
PubChem CID68606814
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name6H-indole-3,5-dione
SMILESO=C1C=C2C(=O)C=NC2=CC1
InChIInChI=1S/C8H5NO2/c10-5-1-2-7-6(3-5)8(11)4-9-7/h2-4H,1H2
InChIKeyGNFGCBNFTHWXHB-UHFFFAOYSA-N
XLogP0.42
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6H-indole-3,5-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 6H-indole-3,5-dione?
The IUPAC name of 6H-indole-3,5-dione (CID 68606814) is 6H-indole-3,5-dione.
What is the SMILES notation for 6H-indole-3,5-dione?
The canonical SMILES for 6H-indole-3,5-dione is O=C1C=C2C(=O)C=NC2=CC1.
What is the InChIKey of 6H-indole-3,5-dione?
The InChIKey is GNFGCBNFTHWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-5-1-2-7-6(3-5)8(11)4-9-7/h2-4H,1H2.
What are the key properties of 6H-indole-3,5-dione?
6H-indole-3,5-dione has a molecular weight of 147.13 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-indole-3,5-dione is sourced from PubChem (CID 68606814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).