methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate

C12H7N5O2 — CID 101123312

IUPACmethyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(C#N)=N\Nc1cc(C#N)ccc1C#N
InChIInChI=1S/C12H7N5O2/c1-19-12(18)11(7-15)17-16-10-4-8(5-13)2-3-9(10)6-14/h2-4,16H,1H3/b17-11-
InChIKeyIVFUTCIPOFSGEM-BOPFTXTBSA-N
MW253.22 g/mol
LogP0.89
Rot. Bonds3

About methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate

methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate (PubChem CID 101123312) has the molecular formula C12H7N5O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate
PubChem CID101123312
Molecular FormulaC12H7N5O2
Molecular Weight253.22 g/mol
Exact Mass253.06
IUPAC Namemethyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(C#N)=N\Nc1cc(C#N)ccc1C#N
InChIInChI=1S/C12H7N5O2/c1-19-12(18)11(7-15)17-16-10-4-8(5-13)2-3-9(10)6-14/h2-4,16H,1H3/b17-11-
InChIKeyIVFUTCIPOFSGEM-BOPFTXTBSA-N
XLogP0.89
TPSA122.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

methyl 2-cyano-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 4737671
methyl 2-cyano-2-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]acetate
CID 23276013
methyl (2Z)-2-cyano-2-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 138395566
methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 5361255
methyl 2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 71330620
methyl (2Z)-2-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
CID 138395565
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
methyl 2-cyano-2-[(3-ethoxyphenyl)hydrazinylidene]acetate
CID 829140
ethyl (2Z)-2-cyano-2-[(2,4-dichlorophenyl)hydrazinylidene]acetate
CID 6199683
ethyl (2E)-2-cyano-2-[(2-methoxy-5-methylphenyl)hydrazinylidene]acetate
CID 6895831
N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide
CID 142005555
methyl 4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3-methylbenzoate
CID 172931597

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate (CID 101123312) is methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate is COC(=O)/C(C#N)=N\Nc1cc(C#N)ccc1C#N.
What is the InChIKey of methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate?
The InChIKey is IVFUTCIPOFSGEM-BOPFTXTBSA-N. The full InChI is InChI=1S/C12H7N5O2/c1-19-12(18)11(7-15)17-16-10-4-8(5-13)2-3-9(10)6-14/h2-4,16H,1H3/b17-11-.
What are the key properties of methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate?
methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate has a molecular weight of 253.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 101123312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).