2-bromo-4-cyclohexyl-1H-pyrrole

C10H14BrN — CID 82391276

IUPAC2-bromo-4-cyclohexyl-1H-pyrrole
SMILESBrc1cc(C2CCCCC2)c[nH]1
InChIInChI=1S/C10H14BrN/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h6-8,12H,1-5H2
InChIKeyOFDFBXDFOHVKTA-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.82
Rot. Bonds1

About 2-bromo-4-cyclohexyl-1H-pyrrole

2-bromo-4-cyclohexyl-1H-pyrrole (PubChem CID 82391276) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-4-cyclohexyl-1H-pyrrole.

Molecular Properties

Compound Name2-bromo-4-cyclohexyl-1H-pyrrole
PubChem CID82391276
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-4-cyclohexyl-1H-pyrrole
SMILESBrc1cc(C2CCCCC2)c[nH]1
InChIInChI=1S/C10H14BrN/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h6-8,12H,1-5H2
InChIKeyOFDFBXDFOHVKTA-UHFFFAOYSA-N
XLogP3.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-bromo-4-cyclohexyl-1H-pyrrole 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

1,3,5-tricyclopentylbenzene
CID 611596
5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 105496283
5-cycloheptyl-1H-pyrimidine-2-thione
CID 13164001
3-cyclohexyl-1H-pyrrole
CID 19067896
2,6-dicyclopentylnaphthalene
CID 91354429
1-bromo-4-cyclohexyl-2-fluorobenzene
CID 56992672
3-bromo-5-cyclohexylpyridazine
CID 82387660
2-bromo-4-cyclohexylphenol
CID 519121
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
5-cyclopropyl-3-methyl-1H-pyridin-2-one
CID 83131325
5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
CID 59238866
3-(4-cyclohexylphenyl)azetidine;hydrochloride
CID 154791480

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclohexyl-1H-pyrrole?
The IUPAC name of 2-bromo-4-cyclohexyl-1H-pyrrole (CID 82391276) is 2-bromo-4-cyclohexyl-1H-pyrrole.
What is the SMILES notation for 2-bromo-4-cyclohexyl-1H-pyrrole?
The canonical SMILES for 2-bromo-4-cyclohexyl-1H-pyrrole is Brc1cc(C2CCCCC2)c[nH]1.
What is the InChIKey of 2-bromo-4-cyclohexyl-1H-pyrrole?
The InChIKey is OFDFBXDFOHVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h6-8,12H,1-5H2.
What are the key properties of 2-bromo-4-cyclohexyl-1H-pyrrole?
2-bromo-4-cyclohexyl-1H-pyrrole has a molecular weight of 228.13 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclohexyl-1H-pyrrole is sourced from PubChem (CID 82391276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).