6-methoxy-3-methyl-1H-indole-4,7-dione

C10H9NO3 — CID 15721821

IUPAC6-methoxy-3-methyl-1H-indole-4,7-dione
SMILESCOC1=CC(=O)c2c(C)c[nH]c2C1=O
InChIInChI=1S/C10H9NO3/c1-5-4-11-9-8(5)6(12)3-7(14-2)10(9)13/h3-4,11H,1-2H3
InChIKeyYYEPRYXQNQAUNE-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.23
Rot. Bonds1

About 6-methoxy-3-methyl-1H-indole-4,7-dione

6-methoxy-3-methyl-1H-indole-4,7-dione (PubChem CID 15721821) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1H-indole-4,7-dione.

Molecular Properties

Compound Name6-methoxy-3-methyl-1H-indole-4,7-dione
PubChem CID15721821
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name6-methoxy-3-methyl-1H-indole-4,7-dione
SMILESCOC1=CC(=O)c2c(C)c[nH]c2C1=O
InChIInChI=1S/C10H9NO3/c1-5-4-11-9-8(5)6(12)3-7(14-2)10(9)13/h3-4,11H,1-2H3
InChIKeyYYEPRYXQNQAUNE-UHFFFAOYSA-N
XLogP1.23
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1H-indole-4,7-dione?
The IUPAC name of 6-methoxy-3-methyl-1H-indole-4,7-dione (CID 15721821) is 6-methoxy-3-methyl-1H-indole-4,7-dione.
What is the SMILES notation for 6-methoxy-3-methyl-1H-indole-4,7-dione?
The canonical SMILES for 6-methoxy-3-methyl-1H-indole-4,7-dione is COC1=CC(=O)c2c(C)c[nH]c2C1=O.
What is the InChIKey of 6-methoxy-3-methyl-1H-indole-4,7-dione?
The InChIKey is YYEPRYXQNQAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-4-11-9-8(5)6(12)3-7(14-2)10(9)13/h3-4,11H,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1H-indole-4,7-dione?
6-methoxy-3-methyl-1H-indole-4,7-dione has a molecular weight of 191.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1H-indole-4,7-dione is sourced from PubChem (CID 15721821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).