propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate

C12H12ClN3O2 — CID 6524762

IUPACpropyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
SMILESCCCOC(=O)/C(C#N)=N\Nc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-2-7-18-12(17)11(8-14)16-15-10-5-3-9(13)4-6-10/h3-6,15H,2,7H2,1H3/b16-11-
InChIKeyADISTYNKZMGFSQ-WJDWOHSUSA-N
MW265.70 g/mol
LogP2.58
Rot. Bonds5

About propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate

propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate (PubChem CID 6524762) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate.

Molecular Properties

Compound Namepropyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
PubChem CID6524762
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Namepropyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
SMILESCCCOC(=O)/C(C#N)=N\Nc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-2-7-18-12(17)11(8-14)16-15-10-5-3-9(13)4-6-10/h3-6,15H,2,7H2,1H3/b16-11-
InChIKeyADISTYNKZMGFSQ-WJDWOHSUSA-N
XLogP2.58
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate 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 propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate?
The IUPAC name of propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate (CID 6524762) is propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate.
What is the SMILES notation for propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate?
The canonical SMILES for propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate is CCCOC(=O)/C(C#N)=N\Nc1ccc(Cl)cc1.
What is the InChIKey of propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate?
The InChIKey is ADISTYNKZMGFSQ-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-7-18-12(17)11(8-14)16-15-10-5-3-9(13)4-6-10/h3-6,15H,2,7H2,1H3/b16-11-.
What are the key properties of propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate?
propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate has a molecular weight of 265.70 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate is sourced from PubChem (CID 6524762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).