ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate

C11H12Cl2N2O2 — CID 90003226

IUPACethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N\Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c1-3-17-11(16)7(2)14-15-10-5-8(12)4-9(13)6-10/h4-6,15H,3H2,1-2H3/b14-7-
InChIKeyDYHLGDFFRYBLBD-AUWJEWJLSA-N
MW275.13 g/mol
LogP3.34
Rot. Bonds4

About ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate

ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate (PubChem CID 90003226) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate
PubChem CID90003226
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Nameethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N\Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c1-3-17-11(16)7(2)14-15-10-5-8(12)4-9(13)6-10/h4-6,15H,3H2,1-2H3/b14-7-
InChIKeyDYHLGDFFRYBLBD-AUWJEWJLSA-N
XLogP3.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.34
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 ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate (CID 90003226) is ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N\Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate?
The InChIKey is DYHLGDFFRYBLBD-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-3-17-11(16)7(2)14-15-10-5-8(12)4-9(13)6-10/h4-6,15H,3H2,1-2H3/b14-7-.
What are the key properties of ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate?
ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate has a molecular weight of 275.13 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(3,5-dichlorophenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 90003226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).