3-methoxy-1-methyl-1H-isoindole

C10H11NO — CID 589658

IUPAC3-methoxy-1-methyl-1H-isoindole
SMILESCOC1=NC(C)c2ccccc21
InChIInChI=1S/C10H11NO/c1-7-8-5-3-4-6-9(8)10(11-7)12-2/h3-7H,1-2H3
InChIKeyHKTSSIMRFGSLBV-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.15
Rot. Bonds

About 3-methoxy-1-methyl-1H-isoindole

3-methoxy-1-methyl-1H-isoindole (PubChem CID 589658) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methoxy-1-methyl-1H-isoindole.

Molecular Properties

Compound Name3-methoxy-1-methyl-1H-isoindole
PubChem CID589658
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methoxy-1-methyl-1H-isoindole
SMILESCOC1=NC(C)c2ccccc21
InChIInChI=1S/C10H11NO/c1-7-8-5-3-4-6-9(8)10(11-7)12-2/h3-7H,1-2H3
InChIKeyHKTSSIMRFGSLBV-UHFFFAOYSA-N
XLogP2.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-1-methyl-1H-isoindole 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 3-methoxy-1-methyl-1H-isoindole?
The IUPAC name of 3-methoxy-1-methyl-1H-isoindole (CID 589658) is 3-methoxy-1-methyl-1H-isoindole.
What is the SMILES notation for 3-methoxy-1-methyl-1H-isoindole?
The canonical SMILES for 3-methoxy-1-methyl-1H-isoindole is COC1=NC(C)c2ccccc21.
What is the InChIKey of 3-methoxy-1-methyl-1H-isoindole?
The InChIKey is HKTSSIMRFGSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-8-5-3-4-6-9(8)10(11-7)12-2/h3-7H,1-2H3.
What are the key properties of 3-methoxy-1-methyl-1H-isoindole?
3-methoxy-1-methyl-1H-isoindole has a molecular weight of 161.20 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-1H-isoindole is sourced from PubChem (CID 589658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).