(Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium

C16H16N3O2+ — CID 162415297

IUPAC(Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium
SMILESCC(=O)N/N=C(\C=[N+](/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-13(20)17-18-16(14-8-4-2-5-9-14)12-19(21)15-10-6-3-7-11-15/h2-12,21H,1H3/p+1
InChIKeyXJJHKOKSNFHBDA-UHFFFAOYSA-O
MW282.32 g/mol
LogP2.33
Rot. Bonds4

About (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium

(Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium (PubChem CID 162415297) has the molecular formula C16H16N3O2+ and a molecular weight of 282.32 g/mol. Its IUPAC name is (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium.

Molecular Properties

Compound Name(Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium
PubChem CID162415297
Molecular FormulaC16H16N3O2+
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name(Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium
SMILESCC(=O)N/N=C(\C=[N+](/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-13(20)17-18-16(14-8-4-2-5-9-14)12-19(21)15-10-6-3-7-11-15/h2-12,21H,1H3/p+1
InChIKeyXJJHKOKSNFHBDA-UHFFFAOYSA-O
XLogP2.33
TPSA64.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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
(2E)-2-(acetylhydrazinylidene)-2-phenylacetate
CID 25141038
N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
CID 59351039
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
CID 6803115
[(E)-(3,3-dichloro-1-phenylprop-2-enylidene)amino]urea
CID 12677235
6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 4996641
[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium
CID 13104094
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869

Frequently Asked Questions

What is the IUPAC name of (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium?
The IUPAC name of (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium (CID 162415297) is (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium.
What is the SMILES notation for (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium?
The canonical SMILES for (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium is CC(=O)N/N=C(\C=[N+](/O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium?
The InChIKey is XJJHKOKSNFHBDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15N3O2/c1-13(20)17-18-16(14-8-4-2-5-9-14)12-19(21)15-10-6-3-7-11-15/h2-12,21H,1H3/p+1.
What are the key properties of (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium?
(Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium has a molecular weight of 282.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(2Z)-2-(acetylhydrazinylidene)-2-phenylethylidene]-hydroxy-phenylazanium is sourced from PubChem (CID 162415297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).