5,6-dimethoxy-1,2,3-trimethylindole

C13H17NO2 — CID 21049658

IUPAC5,6-dimethoxy-1,2,3-trimethylindole
SMILESCOc1cc2c(C)c(C)n(C)c2cc1OC
InChIInChI=1S/C13H17NO2/c1-8-9(2)14(3)11-7-13(16-5)12(15-4)6-10(8)11/h6-7H,1-5H3
InChIKeyMAAAEJUZQGLDHH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.81
Rot. Bonds2

About 5,6-dimethoxy-1,2,3-trimethylindole

5,6-dimethoxy-1,2,3-trimethylindole (PubChem CID 21049658) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5,6-dimethoxy-1,2,3-trimethylindole.

Molecular Properties

Compound Name5,6-dimethoxy-1,2,3-trimethylindole
PubChem CID21049658
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5,6-dimethoxy-1,2,3-trimethylindole
SMILESCOc1cc2c(C)c(C)n(C)c2cc1OC
InChIInChI=1S/C13H17NO2/c1-8-9(2)14(3)11-7-13(16-5)12(15-4)6-10(8)11/h6-7H,1-5H3
InChIKeyMAAAEJUZQGLDHH-UHFFFAOYSA-N
XLogP2.81
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1,2,3-trimethylindole?
The IUPAC name of 5,6-dimethoxy-1,2,3-trimethylindole (CID 21049658) is 5,6-dimethoxy-1,2,3-trimethylindole.
What is the SMILES notation for 5,6-dimethoxy-1,2,3-trimethylindole?
The canonical SMILES for 5,6-dimethoxy-1,2,3-trimethylindole is COc1cc2c(C)c(C)n(C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1,2,3-trimethylindole?
The InChIKey is MAAAEJUZQGLDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-9(2)14(3)11-7-13(16-5)12(15-4)6-10(8)11/h6-7H,1-5H3.
What are the key properties of 5,6-dimethoxy-1,2,3-trimethylindole?
5,6-dimethoxy-1,2,3-trimethylindole has a molecular weight of 219.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1,2,3-trimethylindole is sourced from PubChem (CID 21049658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).