5-methyl-2,3-dihydro-1H-isoindole

C9H11N — CID 23091937

IUPAC5-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2
InChIInChI=1S/C9H11N/c1-7-2-3-8-5-10-6-9(8)4-7/h2-4,10H,5-6H2,1H3
InChIKeyTZMYQGXSTSSHQV-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.60
Rot. Bonds

About 5-methyl-2,3-dihydro-1H-isoindole

5-methyl-2,3-dihydro-1H-isoindole (PubChem CID 23091937) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-isoindole
PubChem CID23091937
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name5-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2
InChIInChI=1S/C9H11N/c1-7-2-3-8-5-10-6-9(8)4-7/h2-4,10H,5-6H2,1H3
InChIKeyTZMYQGXSTSSHQV-UHFFFAOYSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2,3-dihydro-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 5-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-methyl-2,3-dihydro-1H-isoindole (CID 23091937) is 5-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-isoindole is Cc1ccc2c(c1)CNC2.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is TZMYQGXSTSSHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-2-3-8-5-10-6-9(8)4-7/h2-4,10H,5-6H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1H-isoindole?
5-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 133.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 23091937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).