methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate

C10H9Cl3N2O2 — CID 6323872

IUPACmethyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate
SMILESCOC(=O)/C(C)=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2O2/c1-5(10(16)17-2)14-15-9-7(12)3-6(11)4-8(9)13/h3-4,15H,1-2H3/b14-5-
InChIKeyZSUPHRWAORTQEP-RZNTYIFUSA-N
MW295.55 g/mol
LogP3.61
Rot. Bonds3

About methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate

methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate (PubChem CID 6323872) has the molecular formula C10H9Cl3N2O2 and a molecular weight of 295.55 g/mol. Its IUPAC name is methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate
PubChem CID6323872
Molecular FormulaC10H9Cl3N2O2
Molecular Weight295.55 g/mol
Exact Mass293.97
IUPAC Namemethyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate
SMILESCOC(=O)/C(C)=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2O2/c1-5(10(16)17-2)14-15-9-7(12)3-6(11)4-8(9)13/h3-4,15H,1-2H3/b14-5-
InChIKeyZSUPHRWAORTQEP-RZNTYIFUSA-N
XLogP3.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate?
The IUPAC name of methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate (CID 6323872) is methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate.
What is the SMILES notation for methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate?
The canonical SMILES for methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate is COC(=O)/C(C)=N\Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate?
The InChIKey is ZSUPHRWAORTQEP-RZNTYIFUSA-N. The full InChI is InChI=1S/C10H9Cl3N2O2/c1-5(10(16)17-2)14-15-9-7(12)3-6(11)4-8(9)13/h3-4,15H,1-2H3/b14-5-.
What are the key properties of methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate?
methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate has a molecular weight of 295.55 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 6323872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).