6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole

C13H14BrN — CID 15850054

IUPAC6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCC12CCCCC1=Nc1ccc(Br)cc12
InChIInChI=1S/C13H14BrN/c1-13-7-3-2-4-12(13)15-11-6-5-9(14)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChIKeyDRZWAUIDBKTMCT-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.37
Rot. Bonds

About 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole

6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 15850054) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole
PubChem CID15850054
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCC12CCCCC1=Nc1ccc(Br)cc12
InChIInChI=1S/C13H14BrN/c1-13-7-3-2-4-12(13)15-11-6-5-9(14)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChIKeyDRZWAUIDBKTMCT-UHFFFAOYSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole 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

3H-Indole, 2,3,3-trimethyl-
CID 15427
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
8-Bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-ylamine
CID 10400619
2-[(E)-2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
CID 13593039
7-bromo-2,3,3-trimethyl-3H-indole
CID 20553392
4-Bromo-2-phenylaniline
CID 229550
5-Bromo-1-butyl-2,3,3-trimethyl-3H-indol-1-ium iodide
CID 139224253
4-Bromo-2-ethylphenyl isocyanate
CID 4426496
4-Bromo-2-tert-butylaniline
CID 11959000
7-Bromo-1,1,2-trimethyl-1H-benzo[e]indole
CID 27281663
2,3-Dimethyl-3-phenylindole
CID 345250

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole (CID 15850054) is 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole is CC12CCCCC1=Nc1ccc(Br)cc12.
What is the InChIKey of 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is DRZWAUIDBKTMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-13-7-3-2-4-12(13)15-11-6-5-9(14)8-10(11)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole?
6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 264.17 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4a-methyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 15850054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).