[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate

C11H12N2O4 — CID 25251494

IUPAC[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
SMILESCOC(=O)N/N=C/c1ccccc1OC(C)=O
InChIInChI=1S/C11H12N2O4/c1-8(14)17-10-6-4-3-5-9(10)7-12-13-11(15)16-2/h3-7H,1-2H3,(H,13,15)/b12-7+
InChIKeyHMKYGEQXTUCOOP-KPKJPENVSA-N
MW236.23 g/mol
LogP1.30
Rot. Bonds3

About [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate

[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate (PubChem CID 25251494) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
PubChem CID25251494
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
SMILESCOC(=O)N/N=C/c1ccccc1OC(C)=O
InChIInChI=1S/C11H12N2O4/c1-8(14)17-10-6-4-3-5-9(10)7-12-13-11(15)16-2/h3-7H,1-2H3,(H,13,15)/b12-7+
InChIKeyHMKYGEQXTUCOOP-KPKJPENVSA-N
XLogP1.30
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
[2-(tert-butyliminomethyl)phenyl] acetate
CID 15905761
octakis(holmium(3+));octakis(2-methoxy-6-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenolate);tetrakis(oxygen(2-));tetraacetate;dicarbonate
CID 139179069
[2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 46502149
methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 171131741

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate?
The IUPAC name of [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate (CID 25251494) is [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate.
What is the SMILES notation for [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate?
The canonical SMILES for [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate is COC(=O)N/N=C/c1ccccc1OC(C)=O.
What is the InChIKey of [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate?
The InChIKey is HMKYGEQXTUCOOP-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-8(14)17-10-6-4-3-5-9(10)7-12-13-11(15)16-2/h3-7H,1-2H3,(H,13,15)/b12-7+.
What are the key properties of [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate?
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate has a molecular weight of 236.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate is sourced from PubChem (CID 25251494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).