methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate

C16H14N2O4 — CID 134847140

IUPACmethyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N/NC(=O)Oc1ccccc1
InChIInChI=1S/C16H14N2O4/c1-21-15(19)14-10-6-5-7-12(14)11-17-18-16(20)22-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,20)/b17-11+
InChIKeyXAKWWBZBSHCLAK-GZTJUZNOSA-N
MW298.30 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate

methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate (PubChem CID 134847140) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
PubChem CID134847140
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namemethyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N/NC(=O)Oc1ccccc1
InChIInChI=1S/C16H14N2O4/c1-21-15(19)14-10-6-5-7-12(14)11-17-18-16(20)22-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,20)/b17-11+
InChIKeyXAKWWBZBSHCLAK-GZTJUZNOSA-N
XLogP2.60
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.60
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'}

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Related Compounds

methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
methyl 2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]benzoate
CID 9215995
methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447
methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217540
phenyl N-(pyridin-4-ylmethylideneamino)carbamate
CID 54502700
phenyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
CID 123762315
methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 9293970
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
CID 9298313

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate?
The IUPAC name of methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate (CID 134847140) is methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate.
What is the SMILES notation for methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate?
The canonical SMILES for methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate is COC(=O)c1ccccc1/C=N/NC(=O)Oc1ccccc1.
What is the InChIKey of methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate?
The InChIKey is XAKWWBZBSHCLAK-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-15(19)14-10-6-5-7-12(14)11-17-18-16(20)22-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,20)/b17-11+.
What are the key properties of methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate?
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate has a molecular weight of 298.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate is sourced from PubChem (CID 134847140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).