ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate

C12H14N2O3 — CID 46174216

IUPACethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3/c1-3-17-11(15)8-13-14-12(16)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,14,16)/b13-8+
InChIKeyGZLXVODGIMRLQS-MDWZMJQESA-N
MW234.25 g/mol
LogP1.27
Rot. Bonds4

About ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate

ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate (PubChem CID 46174216) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate
PubChem CID46174216
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3/c1-3-17-11(15)8-13-14-12(16)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,14,16)/b13-8+
InChIKeyGZLXVODGIMRLQS-MDWZMJQESA-N
XLogP1.27
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 ≤ 51.27
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

Benzoic acid, (1-carboxyethylidene)hydrazide
CID 5399093
n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978
N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
4-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9602691
(2Z)-2-[(Phenylformamido)imino]propanoic acid
CID 5360813
4-Methyl-N'-[(E)-phenylmethylidene]benzohydrazide
CID 5331913
N'-((1E)-2,2-dimethylpropylidene)benzohydrazide
CID 11564693
4-Methyl-N'-(4-methylbenzylidene)benzohydrazide
CID 5333148
Benzoic acid, 2-(2-methylpropylidene)hydrazide
CID 112687
N'-(2-Methylpropylidene)benzohydrazide
CID 9563269
3-fluoro-N'-[(1E)-propylidene]benzohydrazide
CID 9676141
N-[(E)-ethylideneamino]benzamide
CID 9574240

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate (CID 46174216) is ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate is CCOC(=O)/C=N/NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate?
The InChIKey is GZLXVODGIMRLQS-MDWZMJQESA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-11(15)8-13-14-12(16)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,14,16)/b13-8+.
What are the key properties of ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate?
ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate has a molecular weight of 234.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(4-methylbenzoyl)hydrazinylidene]acetate is sourced from PubChem (CID 46174216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).