5-methoxy-1,2-dimethylindole

C11H13NO — CID 600315

IUPAC5-methoxy-1,2-dimethylindole
SMILESCOc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C11H13NO/c1-8-6-9-7-10(13-3)4-5-11(9)12(8)2/h4-7H,1-3H3
InChIKeyFODAUNMFUIXBBO-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.50
Rot. Bonds1

About 5-methoxy-1,2-dimethylindole

5-methoxy-1,2-dimethylindole (PubChem CID 600315) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethylindole.

Molecular Properties

Compound Name5-methoxy-1,2-dimethylindole
PubChem CID600315
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-methoxy-1,2-dimethylindole
SMILESCOc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C11H13NO/c1-8-6-9-7-10(13-3)4-5-11(9)12(8)2/h4-7H,1-3H3
InChIKeyFODAUNMFUIXBBO-UHFFFAOYSA-N
XLogP2.50
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethylindole?
The IUPAC name of 5-methoxy-1,2-dimethylindole (CID 600315) is 5-methoxy-1,2-dimethylindole.
What is the SMILES notation for 5-methoxy-1,2-dimethylindole?
The canonical SMILES for 5-methoxy-1,2-dimethylindole is COc1ccc2c(c1)cc(C)n2C.
What is the InChIKey of 5-methoxy-1,2-dimethylindole?
The InChIKey is FODAUNMFUIXBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-6-9-7-10(13-3)4-5-11(9)12(8)2/h4-7H,1-3H3.
What are the key properties of 5-methoxy-1,2-dimethylindole?
5-methoxy-1,2-dimethylindole has a molecular weight of 175.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethylindole is sourced from PubChem (CID 600315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).