6-methoxy-1-methylindole-2,3-dione

C10H9NO3 — CID 19772337

IUPAC6-methoxy-1-methylindole-2,3-dione
SMILESCOc1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C10H9NO3/c1-11-8-5-6(14-2)3-4-7(8)9(12)10(11)13/h3-5H,1-2H3
InChIKeyPUEJWCJLMMTQGE-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.85
Rot. Bonds1

About 6-methoxy-1-methylindole-2,3-dione

6-methoxy-1-methylindole-2,3-dione (PubChem CID 19772337) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-methoxy-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-methoxy-1-methylindole-2,3-dione
PubChem CID19772337
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name6-methoxy-1-methylindole-2,3-dione
SMILESCOc1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C10H9NO3/c1-11-8-5-6(14-2)3-4-7(8)9(12)10(11)13/h3-5H,1-2H3
InChIKeyPUEJWCJLMMTQGE-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
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 6-methoxy-1-methylindole-2,3-dione?
The IUPAC name of 6-methoxy-1-methylindole-2,3-dione (CID 19772337) is 6-methoxy-1-methylindole-2,3-dione.
What is the SMILES notation for 6-methoxy-1-methylindole-2,3-dione?
The canonical SMILES for 6-methoxy-1-methylindole-2,3-dione is COc1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-methoxy-1-methylindole-2,3-dione?
The InChIKey is PUEJWCJLMMTQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-8-5-6(14-2)3-4-7(8)9(12)10(11)13/h3-5H,1-2H3.
What are the key properties of 6-methoxy-1-methylindole-2,3-dione?
6-methoxy-1-methylindole-2,3-dione has a molecular weight of 191.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methylindole-2,3-dione is sourced from PubChem (CID 19772337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).