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

C13H17NO2 — CID 12844901

IUPAC5,6-dimethoxy-2,3,3-trimethylindole
SMILESCOc1cc2c(cc1OC)C(C)(C)C(C)=N2
InChIInChI=1S/C13H17NO2/c1-8-13(2,3)9-6-11(15-4)12(16-5)7-10(9)14-8/h6-7H,1-5H3
InChIKeyQJVLAHGVELEJFG-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.09
Rot. Bonds2

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

5,6-dimethoxy-2,3,3-trimethylindole (PubChem CID 12844901) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5,6-dimethoxy-2,3,3-trimethylindole.

Molecular Properties

Compound Name5,6-dimethoxy-2,3,3-trimethylindole
PubChem CID12844901
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5,6-dimethoxy-2,3,3-trimethylindole
SMILESCOc1cc2c(cc1OC)C(C)(C)C(C)=N2
InChIInChI=1S/C13H17NO2/c1-8-13(2,3)9-6-11(15-4)12(16-5)7-10(9)14-8/h6-7H,1-5H3
InChIKeyQJVLAHGVELEJFG-UHFFFAOYSA-N
XLogP3.09
TPSA30.82 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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2,3,3-trimethylindole?
The IUPAC name of 5,6-dimethoxy-2,3,3-trimethylindole (CID 12844901) is 5,6-dimethoxy-2,3,3-trimethylindole.
What is the SMILES notation for 5,6-dimethoxy-2,3,3-trimethylindole?
The canonical SMILES for 5,6-dimethoxy-2,3,3-trimethylindole is COc1cc2c(cc1OC)C(C)(C)C(C)=N2.
What is the InChIKey of 5,6-dimethoxy-2,3,3-trimethylindole?
The InChIKey is QJVLAHGVELEJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-13(2,3)9-6-11(15-4)12(16-5)7-10(9)14-8/h6-7H,1-5H3.
What are the key properties of 5,6-dimethoxy-2,3,3-trimethylindole?
5,6-dimethoxy-2,3,3-trimethylindole has a molecular weight of 219.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,3,3-trimethylindole is sourced from PubChem (CID 12844901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).