methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate

C11H11N3O2 — CID 5361255

IUPACmethyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(C#N)=N\Nc1ccc(C)cc1
InChIInChI=1S/C11H11N3O2/c1-8-3-5-9(6-4-8)13-14-10(7-12)11(15)16-2/h3-6,13H,1-2H3/b14-10-
InChIKeyLDHNFMLZRGNDJH-UVTDQMKNSA-N
MW217.23 g/mol
LogP1.46
Rot. Bonds3

About methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate

methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate (PubChem CID 5361255) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
PubChem CID5361255
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(C#N)=N\Nc1ccc(C)cc1
InChIInChI=1S/C11H11N3O2/c1-8-3-5-9(6-4-8)13-14-10(7-12)11(15)16-2/h3-6,13H,1-2H3/b14-10-
InChIKeyLDHNFMLZRGNDJH-UVTDQMKNSA-N
XLogP1.46
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.46
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'}

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Related Compounds

N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
methyl 2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 71330620
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
phenacyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 134918387
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 5368595
methyl 2-cyano-2-[[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]hydrazinylidene]acetate
CID 87890400
methyl (2E)-2-cyano-2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinylidene]acetate
CID 6374240
ethyl (2E)-2-cyano-2-[(4-ethoxyphenyl)hydrazinylidene]acetate
CID 5406081
ethyl (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-cyanoacetate
CID 5453337
ethyl (2E)-2-[(4-acetylphenyl)hydrazinylidene]-2-cyanoacetate
CID 7633287

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate (CID 5361255) is methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate is COC(=O)/C(C#N)=N\Nc1ccc(C)cc1.
What is the InChIKey of methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate?
The InChIKey is LDHNFMLZRGNDJH-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-3-5-9(6-4-8)13-14-10(7-12)11(15)16-2/h3-6,13H,1-2H3/b14-10-.
What are the key properties of methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate?
methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate has a molecular weight of 217.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 5361255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).