2-methyl-5H-indole

C9H9N — CID 18732311

IUPAC2-methyl-5H-indole
SMILESCC1=CC2=CCC=CC2=N1
InChIInChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h3-6H,2H2,1H3
InChIKeyXSLNKDJFNHRCJK-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.23
Rot. Bonds

About 2-methyl-5H-indole

2-methyl-5H-indole (PubChem CID 18732311) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-methyl-5H-indole.

Molecular Properties

Compound Name2-methyl-5H-indole
PubChem CID18732311
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name2-methyl-5H-indole
SMILESCC1=CC2=CCC=CC2=N1
InChIInChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h3-6H,2H2,1H3
InChIKeyXSLNKDJFNHRCJK-UHFFFAOYSA-N
XLogP2.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5H-indole 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 2-methyl-5H-indole?
The IUPAC name of 2-methyl-5H-indole (CID 18732311) is 2-methyl-5H-indole.
What is the SMILES notation for 2-methyl-5H-indole?
The canonical SMILES for 2-methyl-5H-indole is CC1=CC2=CCC=CC2=N1.
What is the InChIKey of 2-methyl-5H-indole?
The InChIKey is XSLNKDJFNHRCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h3-6H,2H2,1H3.
What are the key properties of 2-methyl-5H-indole?
2-methyl-5H-indole has a molecular weight of 131.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5H-indole is sourced from PubChem (CID 18732311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).