3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one

C12H13BrN2O — CID 56623987

IUPAC3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one
SMILESO=C1CCCC(=NNc2ccc(Br)cc2)C1
InChIInChI=1S/C12H13BrN2O/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(16)8-11/h4-7,14H,1-3,8H2
InChIKeyLIWDIGPBZDOKMV-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.36
Rot. Bonds2

About 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one

3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one (PubChem CID 56623987) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one
PubChem CID56623987
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one
SMILESO=C1CCCC(=NNc2ccc(Br)cc2)C1
InChIInChI=1S/C12H13BrN2O/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(16)8-11/h4-7,14H,1-3,8H2
InChIKeyLIWDIGPBZDOKMV-UHFFFAOYSA-N
XLogP3.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one 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 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one?
The IUPAC name of 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one (CID 56623987) is 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one.
What is the SMILES notation for 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one?
The canonical SMILES for 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one is O=C1CCCC(=NNc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one?
The InChIKey is LIWDIGPBZDOKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(16)8-11/h4-7,14H,1-3,8H2.
What are the key properties of 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one?
3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one has a molecular weight of 281.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one is sourced from PubChem (CID 56623987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).