6-methyl-3a,7a-dihydro-3H-indole

C9H11N — CID 122434129

IUPAC6-methyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC2N=CCC2C=C1
InChIInChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-3,5-6,8-9H,4H2,1H3
InChIKeyMCFJUZLSMGRSIL-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 6-methyl-3a,7a-dihydro-3H-indole

6-methyl-3a,7a-dihydro-3H-indole (PubChem CID 122434129) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 6-methyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name6-methyl-3a,7a-dihydro-3H-indole
PubChem CID122434129
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name6-methyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC2N=CCC2C=C1
InChIInChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-3,5-6,8-9H,4H2,1H3
InChIKeyMCFJUZLSMGRSIL-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-3a,7a-dihydro-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 6-methyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 6-methyl-3a,7a-dihydro-3H-indole (CID 122434129) is 6-methyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 6-methyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 6-methyl-3a,7a-dihydro-3H-indole is CC1=CC2N=CCC2C=C1.
What is the InChIKey of 6-methyl-3a,7a-dihydro-3H-indole?
The InChIKey is MCFJUZLSMGRSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-3,5-6,8-9H,4H2,1H3.
What are the key properties of 6-methyl-3a,7a-dihydro-3H-indole?
6-methyl-3a,7a-dihydro-3H-indole has a molecular weight of 133.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 122434129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).