6-hydroxy-5-methoxy-1H-indole-2,3-dione

C9H7NO4 — CID 12693770

IUPAC6-hydroxy-5-methoxy-1H-indole-2,3-dione
SMILESCOc1cc2c(cc1O)NC(=O)C2=O
InChIInChI=1S/C9H7NO4/c1-14-7-2-4-5(3-6(7)11)10-9(13)8(4)12/h2-3,11H,1H3,(H,10,12,13)
InChIKeySOOLQGUEJLAAOH-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.54
Rot. Bonds1

About 6-hydroxy-5-methoxy-1H-indole-2,3-dione

6-hydroxy-5-methoxy-1H-indole-2,3-dione (PubChem CID 12693770) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-hydroxy-5-methoxy-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-hydroxy-5-methoxy-1H-indole-2,3-dione
PubChem CID12693770
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name6-hydroxy-5-methoxy-1H-indole-2,3-dione
SMILESCOc1cc2c(cc1O)NC(=O)C2=O
InChIInChI=1S/C9H7NO4/c1-14-7-2-4-5(3-6(7)11)10-9(13)8(4)12/h2-3,11H,1H3,(H,10,12,13)
InChIKeySOOLQGUEJLAAOH-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-hydroxy-5-methoxy-1H-indole-2,3-dione?
The IUPAC name of 6-hydroxy-5-methoxy-1H-indole-2,3-dione (CID 12693770) is 6-hydroxy-5-methoxy-1H-indole-2,3-dione.
What is the SMILES notation for 6-hydroxy-5-methoxy-1H-indole-2,3-dione?
The canonical SMILES for 6-hydroxy-5-methoxy-1H-indole-2,3-dione is COc1cc2c(cc1O)NC(=O)C2=O.
What is the InChIKey of 6-hydroxy-5-methoxy-1H-indole-2,3-dione?
The InChIKey is SOOLQGUEJLAAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-14-7-2-4-5(3-6(7)11)10-9(13)8(4)12/h2-3,11H,1H3,(H,10,12,13).
What are the key properties of 6-hydroxy-5-methoxy-1H-indole-2,3-dione?
6-hydroxy-5-methoxy-1H-indole-2,3-dione has a molecular weight of 193.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methoxy-1H-indole-2,3-dione is sourced from PubChem (CID 12693770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).