7-methoxy-1H-indole-2,3-dione

C9H7NO3 — CID 4088910

IUPAC7-methoxy-1H-indole-2,3-dione
SMILESCOc1cccc2c1NC(=O)C2=O
InChIInChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12)
InChIKeyURXIUXOJSICGOD-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.83
Rot. Bonds1

About 7-methoxy-1H-indole-2,3-dione

7-methoxy-1H-indole-2,3-dione (PubChem CID 4088910) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 7-methoxy-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-methoxy-1H-indole-2,3-dione
PubChem CID4088910
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name7-methoxy-1H-indole-2,3-dione
SMILESCOc1cccc2c1NC(=O)C2=O
InChIInChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12)
InChIKeyURXIUXOJSICGOD-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-indole-2,3-dione?
The IUPAC name of 7-methoxy-1H-indole-2,3-dione (CID 4088910) is 7-methoxy-1H-indole-2,3-dione.
What is the SMILES notation for 7-methoxy-1H-indole-2,3-dione?
The canonical SMILES for 7-methoxy-1H-indole-2,3-dione is COc1cccc2c1NC(=O)C2=O.
What is the InChIKey of 7-methoxy-1H-indole-2,3-dione?
The InChIKey is URXIUXOJSICGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12).
What are the key properties of 7-methoxy-1H-indole-2,3-dione?
7-methoxy-1H-indole-2,3-dione has a molecular weight of 177.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-indole-2,3-dione is sourced from PubChem (CID 4088910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).