(2E)-2-(acetylhydrazinylidene)-2-phenylacetate

C10H9N2O3- — CID 25141038

IUPAC(2E)-2-(acetylhydrazinylidene)-2-phenylacetate
SMILESCC(=O)N/N=C(/C(=O)[O-])c1ccccc1
InChIInChI=1S/C10H10N2O3/c1-7(13)11-12-9(10(14)15)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)(H,14,15)/p-1/b12-9+
InChIKeyFINCVADLYATHML-FMIVXFBMSA-M
MW205.19 g/mol
LogP-0.72
Rot. Bonds3

About (2E)-2-(acetylhydrazinylidene)-2-phenylacetate

(2E)-2-(acetylhydrazinylidene)-2-phenylacetate (PubChem CID 25141038) has the molecular formula C10H9N2O3- and a molecular weight of 205.19 g/mol. Its IUPAC name is (2E)-2-(acetylhydrazinylidene)-2-phenylacetate.

Molecular Properties

Compound Name(2E)-2-(acetylhydrazinylidene)-2-phenylacetate
PubChem CID25141038
Molecular FormulaC10H9N2O3-
Molecular Weight205.19 g/mol
Exact Mass205.06
IUPAC Name(2E)-2-(acetylhydrazinylidene)-2-phenylacetate
SMILESCC(=O)N/N=C(/C(=O)[O-])c1ccccc1
InChIInChI=1S/C10H10N2O3/c1-7(13)11-12-9(10(14)15)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)(H,14,15)/p-1/b12-9+
InChIKeyFINCVADLYATHML-FMIVXFBMSA-M
XLogP-0.72
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-0.72
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

N-[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 130341387
N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 152519841
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
(2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate
CID 7327923
methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
CID 6309358
N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
CID 59351039
1-methylsulfanyl-3-[(Z)-[(1Z)-1-(methylsulfanylcarbamoylhydrazinylidene)-1-phenylpropan-2-ylidene]amino]urea
CID 20836516
(Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium
CID 162415297
CID 177403611
CID 177403611
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]benzenecarbothioamide
CID 56697878
potassium 1-phenylethanone
CID 19980201

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(acetylhydrazinylidene)-2-phenylacetate?
The IUPAC name of (2E)-2-(acetylhydrazinylidene)-2-phenylacetate (CID 25141038) is (2E)-2-(acetylhydrazinylidene)-2-phenylacetate.
What is the SMILES notation for (2E)-2-(acetylhydrazinylidene)-2-phenylacetate?
The canonical SMILES for (2E)-2-(acetylhydrazinylidene)-2-phenylacetate is CC(=O)N/N=C(/C(=O)[O-])c1ccccc1.
What is the InChIKey of (2E)-2-(acetylhydrazinylidene)-2-phenylacetate?
The InChIKey is FINCVADLYATHML-FMIVXFBMSA-M. The full InChI is InChI=1S/C10H10N2O3/c1-7(13)11-12-9(10(14)15)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)(H,14,15)/p-1/b12-9+.
What are the key properties of (2E)-2-(acetylhydrazinylidene)-2-phenylacetate?
(2E)-2-(acetylhydrazinylidene)-2-phenylacetate has a molecular weight of 205.19 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(acetylhydrazinylidene)-2-phenylacetate is sourced from PubChem (CID 25141038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).