3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one

C13H15ClN2O — CID 4990164

IUPAC3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one
SMILESCc1ccc(NN=C2CCCC(=O)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-9-5-6-11(8-13(9)14)16-15-10-3-2-4-12(17)7-10/h5-6,8,16H,2-4,7H2,1H3
InChIKeyFMOBCZGOQGEWIX-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.56
Rot. Bonds2

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

3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one (PubChem CID 4990164) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one
PubChem CID4990164
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one
SMILESCc1ccc(NN=C2CCCC(=O)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-9-5-6-11(8-13(9)14)16-15-10-3-2-4-12(17)7-10/h5-6,8,16H,2-4,7H2,1H3
InChIKeyFMOBCZGOQGEWIX-UHFFFAOYSA-N
XLogP3.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one?
The IUPAC name of 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one (CID 4990164) is 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one.
What is the SMILES notation for 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one?
The canonical SMILES for 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one is Cc1ccc(NN=C2CCCC(=O)C2)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one?
The InChIKey is FMOBCZGOQGEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-5-6-11(8-13(9)14)16-15-10-3-2-4-12(17)7-10/h5-6,8,16H,2-4,7H2,1H3.
What are the key properties of 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one?
3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one has a molecular weight of 250.73 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylphenyl)hydrazinylidene]cyclohexan-1-one is sourced from PubChem (CID 4990164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).