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

C12H13N2O5- — CID 7612645

IUPAC2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)N/N=C\c1ccccc1OCC(=O)[O-]
InChIInChI=1S/C12H14N2O5/c1-2-18-12(17)14-13-7-9-5-3-4-6-10(9)19-8-11(15)16/h3-7H,2,8H2,1H3,(H,14,17)(H,15,16)/p-1/b13-7-
InChIKeyLUGVCIWDBGHELL-QPEQYQDCSA-M
MW265.25 g/mol
LogP-0.10
Rot. Bonds6

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

2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate (PubChem CID 7612645) has the molecular formula C12H13N2O5- and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
PubChem CID7612645
Molecular FormulaC12H13N2O5-
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Name2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)N/N=C\c1ccccc1OCC(=O)[O-]
InChIInChI=1S/C12H14N2O5/c1-2-18-12(17)14-13-7-9-5-3-4-6-10(9)19-8-11(15)16/h3-7H,2,8H2,1H3,(H,14,17)(H,15,16)/p-1/b13-7-
InChIKeyLUGVCIWDBGHELL-QPEQYQDCSA-M
XLogP-0.10
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-0.10
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)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-[2-[(Z)-[(2-methylphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetate
CID 7933533
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989560
2-[2-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 8001644
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9215630
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate (CID 7612645) is 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate is CCOC(=O)N/N=C\c1ccccc1OCC(=O)[O-].
What is the InChIKey of 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
The InChIKey is LUGVCIWDBGHELL-QPEQYQDCSA-M. The full InChI is InChI=1S/C12H14N2O5/c1-2-18-12(17)14-13-7-9-5-3-4-6-10(9)19-8-11(15)16/h3-7H,2,8H2,1H3,(H,14,17)(H,15,16)/p-1/b13-7-.
What are the key properties of 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate?
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate has a molecular weight of 265.25 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 7612645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).