(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid

C16H14N4O6 — CID 6306782

IUPAC(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H14N4O6/c21-16(22)9-8-13(11-4-2-1-3-5-11)17-18-14-7-6-12(19(23)24)10-15(14)20(25)26/h1-7,10,18H,8-9H2,(H,21,22)/b17-13-
InChIKeyTUHZOEGNBYUDRX-LGMDPLHJSA-N
MW358.31 g/mol
LogP3.18
Rot. Bonds8

About (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid

(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid (PubChem CID 6306782) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
PubChem CID6306782
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H14N4O6/c21-16(22)9-8-13(11-4-2-1-3-5-11)17-18-14-7-6-12(19(23)24)10-15(14)20(25)26/h1-7,10,18H,8-9H2,(H,21,22)/b17-13-
InChIKeyTUHZOEGNBYUDRX-LGMDPLHJSA-N
XLogP3.18
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
N-[(E)-(5-chloro-1-phenylpentylidene)amino]-2,4-dinitroaniline
CID 6036510
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
CID 5369580
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
N-[(E)-(2-ethoxy-1-phenylethylidene)amino]-2,4-dinitroaniline
CID 134094248
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
[2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 3-methylbenzoate
CID 3618074
[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 5-anilino-5-oxopentanoate
CID 92652605
ethyl (4E)-4-(3,4-dimethylphenyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
CID 6147446
[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] (2S)-2-benzamido-2-phenylacetate
CID 9499650
N-[(E)-[1-(4-methylsulfanylphenyl)-2-phenylethylidene]amino]-2,4-dinitroaniline
CID 21176257
(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
CID 15107201

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid?
The IUPAC name of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid (CID 6306782) is (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid.
What is the SMILES notation for (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid?
The canonical SMILES for (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid is O=C(O)CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid?
The InChIKey is TUHZOEGNBYUDRX-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H14N4O6/c21-16(22)9-8-13(11-4-2-1-3-5-11)17-18-14-7-6-12(19(23)24)10-15(14)20(25)26/h1-7,10,18H,8-9H2,(H,21,22)/b17-13-.
What are the key properties of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid?
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid has a molecular weight of 358.31 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid is sourced from PubChem (CID 6306782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).