4-bromo-2-methyl-3a,7a-dihydro-1H-indole

C9H10BrN — CID 112713951

IUPAC4-bromo-2-methyl-3a,7a-dihydro-1H-indole
SMILESCC1=CC2C(Br)=CC=CC2N1
InChIInChI=1S/C9H10BrN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,7,9,11H,1H3
InChIKeyAUMXJOUJAFIPBJ-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.33
Rot. Bonds

About 4-bromo-2-methyl-3a,7a-dihydro-1H-indole

4-bromo-2-methyl-3a,7a-dihydro-1H-indole (PubChem CID 112713951) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 4-bromo-2-methyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name4-bromo-2-methyl-3a,7a-dihydro-1H-indole
PubChem CID112713951
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name4-bromo-2-methyl-3a,7a-dihydro-1H-indole
SMILESCC1=CC2C(Br)=CC=CC2N1
InChIInChI=1S/C9H10BrN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,7,9,11H,1H3
InChIKeyAUMXJOUJAFIPBJ-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-methyl-3a,7a-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone
CID 112712511
6-bromo-2-methyl-3a,7a-dihydro-1H-indole
CID 112713949
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol
CID 121480613
5-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491786
1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene
CID 102320988
4-bromo-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 14756300
5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene
CID 23678565
(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 89016466
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
5-bromo-1-methylcyclohepta-1,3-diene
CID 143519480
2-butoxy-3-methyl-3a,7a-dihydro-1H-indole
CID 71096840

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 4-bromo-2-methyl-3a,7a-dihydro-1H-indole (CID 112713951) is 4-bromo-2-methyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 4-bromo-2-methyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 4-bromo-2-methyl-3a,7a-dihydro-1H-indole is CC1=CC2C(Br)=CC=CC2N1.
What is the InChIKey of 4-bromo-2-methyl-3a,7a-dihydro-1H-indole?
The InChIKey is AUMXJOUJAFIPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,7,9,11H,1H3.
What are the key properties of 4-bromo-2-methyl-3a,7a-dihydro-1H-indole?
4-bromo-2-methyl-3a,7a-dihydro-1H-indole has a molecular weight of 212.09 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 112713951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).