1H-indole-2,3-dione

C8H5NO2 — CID 7054

IUPAC1H-indole-2,3-dione
SMILESO=C1Nc2ccccc2C1=O
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKeyJXDYKVIHCLTXOP-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.82
Rot. Bonds

About 1H-indole-2,3-dione

1H-indole-2,3-dione (PubChem CID 7054) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1H-indole-2,3-dione.

Molecular Properties

Compound Name1H-indole-2,3-dione
PubChem CID7054
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name1H-indole-2,3-dione
SMILESO=C1Nc2ccccc2C1=O
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKeyJXDYKVIHCLTXOP-UHFFFAOYSA-N
XLogP0.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxindole
CID 321710
Acetylisatin
CID 11321
5-Bromoisatin
CID 6889
1-Phenylisatin
CID 12884
7-Methylisatin
CID 14313
1-Methylisatin
CID 16358
5-Nitroisatin
CID 4669250
5-Methylisatin
CID 11840
5,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 38296
2-Methylquinolin-4-ol
CID 69089
1-Benzylisatin
CID 264734
1-hexadecyl-1H-indole-2,3-dione
CID 3772674

Frequently Asked Questions

What is the IUPAC name of 1H-indole-2,3-dione?
The IUPAC name of 1H-indole-2,3-dione (CID 7054) is 1H-indole-2,3-dione.
What is the SMILES notation for 1H-indole-2,3-dione?
The canonical SMILES for 1H-indole-2,3-dione is O=C1Nc2ccccc2C1=O.
What is the InChIKey of 1H-indole-2,3-dione?
The InChIKey is JXDYKVIHCLTXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11).
What are the key properties of 1H-indole-2,3-dione?
1H-indole-2,3-dione has a molecular weight of 147.13 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-2,3-dione is sourced from PubChem (CID 7054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).