5-methoxy-2,3-dimethyl-1H-indole-4,7-dione

C11H11NO3 — CID 59074546

IUPAC5-methoxy-2,3-dimethyl-1H-indole-4,7-dione
SMILESCOC1=CC(=O)c2[nH]c(C)c(C)c2C1=O
InChIInChI=1S/C11H11NO3/c1-5-6(2)12-10-7(13)4-8(15-3)11(14)9(5)10/h4,12H,1-3H3
InChIKeyXAEHZQBWQYDHDA-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.54
Rot. Bonds1

About 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione

5-methoxy-2,3-dimethyl-1H-indole-4,7-dione (PubChem CID 59074546) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione.

Molecular Properties

Compound Name5-methoxy-2,3-dimethyl-1H-indole-4,7-dione
PubChem CID59074546
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-methoxy-2,3-dimethyl-1H-indole-4,7-dione
SMILESCOC1=CC(=O)c2[nH]c(C)c(C)c2C1=O
InChIInChI=1S/C11H11NO3/c1-5-6(2)12-10-7(13)4-8(15-3)11(14)9(5)10/h4,12H,1-3H3
InChIKeyXAEHZQBWQYDHDA-UHFFFAOYSA-N
XLogP1.54
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.54
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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Related Compounds

5-Methoxy-1,3-dimethyl-2-propan-2-ylindole-4,7-dione
CID 10634229
3-methoxy-2-methyl-9H-carbazole-1,4-dione
CID 10879280
2,3-Dimethylindole-4,7-dione
CID 266586
1,2-Dimethyl-3-formyl-5-methoxyindole-4,7-dione
CID 10036947
5-Methoxy-1,2,3-trimethylindole-4,7-dione
CID 10536845
5-Methoxy-1,2-dimethylindole-4,7-dione
CID 10013178
3-acetyl-5-methoxy-2-methyl-1H-indole-4,7-dione
CID 10933372
3-(1-hydroxyethyl)-5-methoxy-2-methyl-1H-indole-4,7-dione
CID 11075383
3-Methyl-4-(2-methoxy-carbonylethyl)-pyrrole-2,5-dialdehyde
CID 129717437
5-methoxy-6-methyl-1H-indole-4,7-dione
CID 355723
InChI=1/C9H7NO3/c1-13-7-4-6(11)8-5(9(7)12)2-3-10-8/h2-4,10H,1H
CID 10607386
6-methoxy-3-methyl-1H-indole-4,7-dione
CID 15721821

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione?
The IUPAC name of 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione (CID 59074546) is 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione.
What is the SMILES notation for 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione?
The canonical SMILES for 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione is COC1=CC(=O)c2[nH]c(C)c(C)c2C1=O.
What is the InChIKey of 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione?
The InChIKey is XAEHZQBWQYDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-5-6(2)12-10-7(13)4-8(15-3)11(14)9(5)10/h4,12H,1-3H3.
What are the key properties of 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione?
5-methoxy-2,3-dimethyl-1H-indole-4,7-dione has a molecular weight of 205.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dimethyl-1H-indole-4,7-dione is sourced from PubChem (CID 59074546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).