5-methoxy-2,3,3-trimethylindole

C12H15NO — CID 11095392

IUPAC5-methoxy-2,3,3-trimethylindole
SMILESCOc1ccc2c(c1)C(C)(C)C(C)=N2
InChIInChI=1S/C12H15NO/c1-8-12(2,3)10-7-9(14-4)5-6-11(10)13-8/h5-7H,1-4H3
InChIKeyUOGHZHPESMATDD-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.08
Rot. Bonds1

About 5-methoxy-2,3,3-trimethylindole

5-methoxy-2,3,3-trimethylindole (PubChem CID 11095392) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-methoxy-2,3,3-trimethylindole.

Molecular Properties

Compound Name5-methoxy-2,3,3-trimethylindole
PubChem CID11095392
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-methoxy-2,3,3-trimethylindole
SMILESCOc1ccc2c(c1)C(C)(C)C(C)=N2
InChIInChI=1S/C12H15NO/c1-8-12(2,3)10-7-9(14-4)5-6-11(10)13-8/h5-7H,1-4H3
InChIKeyUOGHZHPESMATDD-UHFFFAOYSA-N
XLogP3.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,3-trimethylindole?
The IUPAC name of 5-methoxy-2,3,3-trimethylindole (CID 11095392) is 5-methoxy-2,3,3-trimethylindole.
What is the SMILES notation for 5-methoxy-2,3,3-trimethylindole?
The canonical SMILES for 5-methoxy-2,3,3-trimethylindole is COc1ccc2c(c1)C(C)(C)C(C)=N2.
What is the InChIKey of 5-methoxy-2,3,3-trimethylindole?
The InChIKey is UOGHZHPESMATDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-12(2,3)10-7-9(14-4)5-6-11(10)13-8/h5-7H,1-4H3.
What are the key properties of 5-methoxy-2,3,3-trimethylindole?
5-methoxy-2,3,3-trimethylindole has a molecular weight of 189.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,3-trimethylindole is sourced from PubChem (CID 11095392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).