2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate

C11H11N2O5- — CID 7341340

IUPAC2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
SMILESCOC(=O)N/N=C\c1ccccc1OCC(=O)[O-]
InChIInChI=1S/C11H12N2O5/c1-17-11(16)13-12-6-8-4-2-3-5-9(8)18-7-10(14)15/h2-6H,7H2,1H3,(H,13,16)(H,14,15)/p-1/b12-6-
InChIKeyVEDYKCARTQXLMH-SDQBBNPISA-M
MW251.22 g/mol
LogP-0.49
Rot. Bonds5

About 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate

2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate (PubChem CID 7341340) has the molecular formula C11H11N2O5- and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
PubChem CID7341340
Molecular FormulaC11H11N2O5-
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
SMILESCOC(=O)N/N=C\c1ccccc1OCC(=O)[O-]
InChIInChI=1S/C11H12N2O5/c1-17-11(16)13-12-6-8-4-2-3-5-9(8)18-7-10(14)15/h2-6H,7H2,1H3,(H,13,16)(H,14,15)/p-1/b12-6-
InChIKeyVEDYKCARTQXLMH-SDQBBNPISA-M
XLogP-0.49
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
2-[2-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 8001644
2-[2-[(Z)-[(2-methylphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetate
CID 7933533
methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9215630
2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 6978889
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate (CID 7341340) is 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate is COC(=O)N/N=C\c1ccccc1OCC(=O)[O-].
What is the InChIKey of 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
The InChIKey is VEDYKCARTQXLMH-SDQBBNPISA-M. The full InChI is InChI=1S/C11H12N2O5/c1-17-11(16)13-12-6-8-4-2-3-5-9(8)18-7-10(14)15/h2-6H,7H2,1H3,(H,13,16)(H,14,15)/p-1/b12-6-.
What are the key properties of 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate has a molecular weight of 251.22 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 7341340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).