methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate

C11H14ClN2O5P — CID 71696891

IUPACmethyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate
SMILESCOC(=O)/C(=N/NP(=O)(OC)OC)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN2O5P/c1-17-11(15)10(8-4-6-9(12)7-5-8)13-14-20(16,18-2)19-3/h4-7H,1-3H3,(H,14,16)/b13-10+
InChIKeyRYFYYCJPWIWIAC-JLHYYAGUSA-N
MW320.67 g/mol
LogP2.21
Rot. Bonds6

About methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate

methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate (PubChem CID 71696891) has the molecular formula C11H14ClN2O5P and a molecular weight of 320.67 g/mol. Its IUPAC name is methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate
PubChem CID71696891
Molecular FormulaC11H14ClN2O5P
Molecular Weight320.67 g/mol
Exact Mass320.03
IUPAC Namemethyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate
SMILESCOC(=O)/C(=N/NP(=O)(OC)OC)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN2O5P/c1-17-11(15)10(8-4-6-9(12)7-5-8)13-14-20(16,18-2)19-3/h4-7H,1-3H3,(H,14,16)/b13-10+
InChIKeyRYFYYCJPWIWIAC-JLHYYAGUSA-N
XLogP2.21
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.67
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate?
The IUPAC name of methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate (CID 71696891) is methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate?
The canonical SMILES for methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate is COC(=O)/C(=N/NP(=O)(OC)OC)c1ccc(Cl)cc1.
What is the InChIKey of methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate?
The InChIKey is RYFYYCJPWIWIAC-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H14ClN2O5P/c1-17-11(15)10(8-4-6-9(12)7-5-8)13-14-20(16,18-2)19-3/h4-7H,1-3H3,(H,14,16)/b13-10+.
What are the key properties of methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate?
methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate has a molecular weight of 320.67 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(4-chlorophenyl)-2-(dimethoxyphosphorylhydrazinylidene)acetate is sourced from PubChem (CID 71696891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).