5-methoxy-1-methylindole

C10H11NO — CID 819864

IUPAC5-methoxy-1-methylindole
SMILESCOc1ccc2c(ccn2C)c1
InChIInChI=1S/C10H11NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3-7H,1-2H3
InChIKeyHQNPKVBTBJUMTR-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.19
Rot. Bonds1

About 5-methoxy-1-methylindole

5-methoxy-1-methylindole (PubChem CID 819864) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-methoxy-1-methylindole.

Molecular Properties

Compound Name5-methoxy-1-methylindole
PubChem CID819864
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-methoxy-1-methylindole
SMILESCOc1ccc2c(ccn2C)c1
InChIInChI=1S/C10H11NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3-7H,1-2H3
InChIKeyHQNPKVBTBJUMTR-UHFFFAOYSA-N
XLogP2.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-1-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylindole?
The IUPAC name of 5-methoxy-1-methylindole (CID 819864) is 5-methoxy-1-methylindole.
What is the SMILES notation for 5-methoxy-1-methylindole?
The canonical SMILES for 5-methoxy-1-methylindole is COc1ccc2c(ccn2C)c1.
What is the InChIKey of 5-methoxy-1-methylindole?
The InChIKey is HQNPKVBTBJUMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3-7H,1-2H3.
What are the key properties of 5-methoxy-1-methylindole?
5-methoxy-1-methylindole has a molecular weight of 161.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylindole is sourced from PubChem (CID 819864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).