[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate

C11H11ClN4O3 — CID 135697323

IUPAC[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate
SMILESCC(=O)O/N=C/C(/C=N/O)=N/Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O3/c1-8(17)19-14-7-9(6-13-18)15-16-11-5-3-2-4-10(11)12/h2-7,16,18H,1H3/b13-6+,14-7+,15-9+
InChIKeyRHDAFBNAGKLZKJ-IIQAIUIJSA-N
MW282.69 g/mol
LogP2.12
Rot. Bonds5

About [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate

[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate (PubChem CID 135697323) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate
PubChem CID135697323
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate
SMILESCC(=O)O/N=C/C(/C=N/O)=N/Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O3/c1-8(17)19-14-7-9(6-13-18)15-16-11-5-3-2-4-10(11)12/h2-7,16,18H,1H3/b13-6+,14-7+,15-9+
InChIKeyRHDAFBNAGKLZKJ-IIQAIUIJSA-N
XLogP2.12
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate?
The IUPAC name of [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate (CID 135697323) is [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate.
What is the SMILES notation for [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate?
The canonical SMILES for [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate is CC(=O)O/N=C/C(/C=N/O)=N/Nc1ccccc1Cl.
What is the InChIKey of [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate?
The InChIKey is RHDAFBNAGKLZKJ-IIQAIUIJSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-8(17)19-14-7-9(6-13-18)15-16-11-5-3-2-4-10(11)12/h2-7,16,18H,1H3/b13-6+,14-7+,15-9+.
What are the key properties of [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate?
[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate has a molecular weight of 282.69 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate is sourced from PubChem (CID 135697323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).