methyl 1-methylindole-2-carboperoxoate

C11H11NO3 — CID 140791750

IUPACmethyl 1-methylindole-2-carboperoxoate
SMILESCOOC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C11H11NO3/c1-12-9-6-4-3-5-8(9)7-10(12)11(13)15-14-2/h3-7H,1-2H3
InChIKeyDYLDPAOXJJSVCY-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.90
Rot. Bonds2

About methyl 1-methylindole-2-carboperoxoate

methyl 1-methylindole-2-carboperoxoate (PubChem CID 140791750) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 1-methylindole-2-carboperoxoate.

Molecular Properties

Compound Namemethyl 1-methylindole-2-carboperoxoate
PubChem CID140791750
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 1-methylindole-2-carboperoxoate
SMILESCOOC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C11H11NO3/c1-12-9-6-4-3-5-8(9)7-10(12)11(13)15-14-2/h3-7H,1-2H3
InChIKeyDYLDPAOXJJSVCY-UHFFFAOYSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 1-methylindole-2-carboperoxoate?
The IUPAC name of methyl 1-methylindole-2-carboperoxoate (CID 140791750) is methyl 1-methylindole-2-carboperoxoate.
What is the SMILES notation for methyl 1-methylindole-2-carboperoxoate?
The canonical SMILES for methyl 1-methylindole-2-carboperoxoate is COOC(=O)c1cc2ccccc2n1C.
What is the InChIKey of methyl 1-methylindole-2-carboperoxoate?
The InChIKey is DYLDPAOXJJSVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-9-6-4-3-5-8(9)7-10(12)11(13)15-14-2/h3-7H,1-2H3.
What are the key properties of methyl 1-methylindole-2-carboperoxoate?
methyl 1-methylindole-2-carboperoxoate has a molecular weight of 205.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylindole-2-carboperoxoate is sourced from PubChem (CID 140791750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).