ethyl 2-(acetylhydrazinylidene)-2-phenylacetate

C12H14N2O3 — CID 90720670

IUPACethyl 2-(acetylhydrazinylidene)-2-phenylacetate
SMILESCCOC(=O)C(=NNC(C)=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)11(14-13-9(2)15)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyXCGGOUSHHFTILQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.09
Rot. Bonds4

About ethyl 2-(acetylhydrazinylidene)-2-phenylacetate

ethyl 2-(acetylhydrazinylidene)-2-phenylacetate (PubChem CID 90720670) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-(acetylhydrazinylidene)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(acetylhydrazinylidene)-2-phenylacetate
PubChem CID90720670
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 2-(acetylhydrazinylidene)-2-phenylacetate
SMILESCCOC(=O)C(=NNC(C)=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)11(14-13-9(2)15)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyXCGGOUSHHFTILQ-UHFFFAOYSA-N
XLogP1.09
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
(2E)-2-(acetylhydrazinylidene)-2-phenylacetate
CID 25141038
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2-benzoyl-3-ethoxybut-2-enoate
CID 54223445
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
ethyl 2,3-diphenylbut-2-enoate
CID 175493323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(acetylhydrazinylidene)-2-phenylacetate?
The IUPAC name of ethyl 2-(acetylhydrazinylidene)-2-phenylacetate (CID 90720670) is ethyl 2-(acetylhydrazinylidene)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(acetylhydrazinylidene)-2-phenylacetate?
The canonical SMILES for ethyl 2-(acetylhydrazinylidene)-2-phenylacetate is CCOC(=O)C(=NNC(C)=O)c1ccccc1.
What is the InChIKey of ethyl 2-(acetylhydrazinylidene)-2-phenylacetate?
The InChIKey is XCGGOUSHHFTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(16)11(14-13-9(2)15)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-(acetylhydrazinylidene)-2-phenylacetate?
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate has a molecular weight of 234.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(acetylhydrazinylidene)-2-phenylacetate is sourced from PubChem (CID 90720670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).