1-methyl-6-(methylperoxymethyl)indole

C11H13NO2 — CID 20642442

IUPAC1-methyl-6-(methylperoxymethyl)indole
SMILESCOOCc1ccc2ccn(C)c2c1
InChIInChI=1S/C11H13NO2/c1-12-6-5-10-4-3-9(7-11(10)12)8-14-13-2/h3-7H,8H2,1-2H3
InChIKeyJIRWOHAVRNZPGA-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.26
Rot. Bonds3

About 1-methyl-6-(methylperoxymethyl)indole

1-methyl-6-(methylperoxymethyl)indole (PubChem CID 20642442) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-methyl-6-(methylperoxymethyl)indole.

Molecular Properties

Compound Name1-methyl-6-(methylperoxymethyl)indole
PubChem CID20642442
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-methyl-6-(methylperoxymethyl)indole
SMILESCOOCc1ccc2ccn(C)c2c1
InChIInChI=1S/C11H13NO2/c1-12-6-5-10-4-3-9(7-11(10)12)8-14-13-2/h3-7H,8H2,1-2H3
InChIKeyJIRWOHAVRNZPGA-UHFFFAOYSA-N
XLogP2.26
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(methylperoxymethyl)indole?
The IUPAC name of 1-methyl-6-(methylperoxymethyl)indole (CID 20642442) is 1-methyl-6-(methylperoxymethyl)indole.
What is the SMILES notation for 1-methyl-6-(methylperoxymethyl)indole?
The canonical SMILES for 1-methyl-6-(methylperoxymethyl)indole is COOCc1ccc2ccn(C)c2c1.
What is the InChIKey of 1-methyl-6-(methylperoxymethyl)indole?
The InChIKey is JIRWOHAVRNZPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-6-5-10-4-3-9(7-11(10)12)8-14-13-2/h3-7H,8H2,1-2H3.
What are the key properties of 1-methyl-6-(methylperoxymethyl)indole?
1-methyl-6-(methylperoxymethyl)indole has a molecular weight of 191.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(methylperoxymethyl)indole is sourced from PubChem (CID 20642442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).