methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate

C11H12Cl2N2O2 — CID 139220460

IUPACmethyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate
SMILESCCN/N=C(\C(=O)OC)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-3-14-15-10(11(16)17-2)7-5-4-6-8(12)9(7)13/h4-6,14H,3H2,1-2H3/b15-10-
InChIKeyDVEBKFQZDQAZNN-GDNBJRDFSA-N
MW275.13 g/mol
LogP2.48
Rot. Bonds4

About methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate

methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate (PubChem CID 139220460) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate
PubChem CID139220460
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Namemethyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate
SMILESCCN/N=C(\C(=O)OC)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-3-14-15-10(11(16)17-2)7-5-4-6-8(12)9(7)13/h4-6,14H,3H2,1-2H3/b15-10-
InChIKeyDVEBKFQZDQAZNN-GDNBJRDFSA-N
XLogP2.48
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 ≤ 52.48
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-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate?
The IUPAC name of methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate (CID 139220460) is methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate is CCN/N=C(\C(=O)OC)c1cccc(Cl)c1Cl.
What is the InChIKey of methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate?
The InChIKey is DVEBKFQZDQAZNN-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-3-14-15-10(11(16)17-2)7-5-4-6-8(12)9(7)13/h4-6,14H,3H2,1-2H3/b15-10-.
What are the key properties of methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate?
methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate has a molecular weight of 275.13 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2,3-dichlorophenyl)-2-(ethylhydrazinylidene)acetate is sourced from PubChem (CID 139220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).