5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine

C15H20BrN — CID 104824072

IUPAC5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine
SMILESCc1ccc(/C=C(/CBr)C2CCCCC2)cn1
InChIInChI=1S/C15H20BrN/c1-12-7-8-13(11-17-12)9-15(10-16)14-5-3-2-4-6-14/h7-9,11,14H,2-6,10H2,1H3/b15-9-
InChIKeyOWXJOBCOHHSDFL-DHDCSXOGSA-N
MW294.24 g/mol
LogP4.75
Rot. Bonds3

About 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine

5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine (PubChem CID 104824072) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine
PubChem CID104824072
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine
SMILESCc1ccc(/C=C(/CBr)C2CCCCC2)cn1
InChIInChI=1S/C15H20BrN/c1-12-7-8-13(11-17-12)9-15(10-16)14-5-3-2-4-6-14/h7-9,11,14H,2-6,10H2,1H3/b15-9-
InChIKeyOWXJOBCOHHSDFL-DHDCSXOGSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine 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 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine?
The IUPAC name of 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine (CID 104824072) is 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine.
What is the SMILES notation for 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine?
The canonical SMILES for 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine is Cc1ccc(/C=C(/CBr)C2CCCCC2)cn1.
What is the InChIKey of 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine?
The InChIKey is OWXJOBCOHHSDFL-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H20BrN/c1-12-7-8-13(11-17-12)9-15(10-16)14-5-3-2-4-6-14/h7-9,11,14H,2-6,10H2,1H3/b15-9-.
What are the key properties of 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine?
5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine has a molecular weight of 294.24 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-methylpyridine is sourced from PubChem (CID 104824072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).