methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate

C9H9ClN2O2 — CID 86760180

IUPACmethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C=N\Nc1ccccc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)6-11-12-8-5-3-2-4-7(8)10/h2-6,12H,1H3/b11-6-
InChIKeyMBQVUNUFKOAPNO-WDZFZDKYSA-N
MW212.64 g/mol
LogP1.91
Rot. Bonds3

About methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate

methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate (PubChem CID 86760180) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate
PubChem CID86760180
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C=N\Nc1ccccc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)6-11-12-8-5-3-2-4-7(8)10/h2-6,12H,1H3/b11-6-
InChIKeyMBQVUNUFKOAPNO-WDZFZDKYSA-N
XLogP1.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.91
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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Related Compounds

1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 172920449
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
5-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 8002358
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
[(E)-[(2E,3E)-2-[(2-chlorophenyl)hydrazinylidene]-3-hydroxyiminopropylidene]amino] acetate
CID 135697323
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
methyl 2-(2-chloroanilino)-2-methylpropanoate
CID 60990978
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
2-chloro-N-[(E)-1-nitroethylideneamino]aniline
CID 170698173
1-chloro-2-ethenylbenzene;methyl prop-2-enoate
CID 174899210
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 9069950

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate (CID 86760180) is methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate is COC(=O)/C=N\Nc1ccccc1Cl.
What is the InChIKey of methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
The InChIKey is MBQVUNUFKOAPNO-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)6-11-12-8-5-3-2-4-7(8)10/h2-6,12H,1H3/b11-6-.
What are the key properties of methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate?
methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate has a molecular weight of 212.64 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 86760180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).