methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate

C11H13N5O2 — CID 11021212

IUPACmethyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(N=[N+]=[N-])=N/Nc1cc(C)cc(C)c1
InChIInChI=1S/C11H13N5O2/c1-7-4-8(2)6-9(5-7)13-14-10(15-16-12)11(17)18-3/h4-6,13H,1-3H3/b14-10-
InChIKeyWTVWNTUBIVWADK-UVTDQMKNSA-N
MW247.26 g/mol
LogP2.51
Rot. Bonds2

About methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate

methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate (PubChem CID 11021212) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate
PubChem CID11021212
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(N=[N+]=[N-])=N/Nc1cc(C)cc(C)c1
InChIInChI=1S/C11H13N5O2/c1-7-4-8(2)6-9(5-7)13-14-10(15-16-12)11(17)18-3/h4-6,13H,1-3H3/b14-10-
InChIKeyWTVWNTUBIVWADK-UVTDQMKNSA-N
XLogP2.51
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate (CID 11021212) is methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate is COC(=O)/C(N=[N+]=[N-])=N/Nc1cc(C)cc(C)c1.
What is the InChIKey of methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate?
The InChIKey is WTVWNTUBIVWADK-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-4-8(2)6-9(5-7)13-14-10(15-16-12)11(17)18-3/h4-6,13H,1-3H3/b14-10-.
What are the key properties of methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate?
methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate has a molecular weight of 247.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-azido-2-[(3,5-dimethylphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 11021212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).