(3S)-3-methyl-3H-indole

C9H9N — CID 90192707

IUPAC(3S)-3-methyl-3H-indole
SMILESC[C@@H]1C=Nc2ccccc21
InChIInChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-7H,1H3/t7-/m1/s1
InChIKeyGHVBYKSRYACRGI-SSDOTTSWSA-N
MW131.18 g/mol
LogP2.51
Rot. Bonds

About (3S)-3-methyl-3H-indole

(3S)-3-methyl-3H-indole (PubChem CID 90192707) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S)-3-methyl-3H-indole.

Molecular Properties

Compound Name(3S)-3-methyl-3H-indole
PubChem CID90192707
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name(3S)-3-methyl-3H-indole
SMILESC[C@@H]1C=Nc2ccccc21
InChIInChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-7H,1H3/t7-/m1/s1
InChIKeyGHVBYKSRYACRGI-SSDOTTSWSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3-methyl-3H-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 (3S)-3-methyl-3H-indole?
The IUPAC name of (3S)-3-methyl-3H-indole (CID 90192707) is (3S)-3-methyl-3H-indole.
What is the SMILES notation for (3S)-3-methyl-3H-indole?
The canonical SMILES for (3S)-3-methyl-3H-indole is C[C@@H]1C=Nc2ccccc21.
What is the InChIKey of (3S)-3-methyl-3H-indole?
The InChIKey is GHVBYKSRYACRGI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-7H,1H3/t7-/m1/s1.
What are the key properties of (3S)-3-methyl-3H-indole?
(3S)-3-methyl-3H-indole has a molecular weight of 131.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3H-indole is sourced from PubChem (CID 90192707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).