(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid

C10H10N4O6 — CID 15107201

IUPAC(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
SMILESO=C(O)CC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O6/c15-10(16)2-1-5-11-12-8-4-3-7(13(17)18)6-9(8)14(19)20/h3-6,12H,1-2H2,(H,15,16)/b11-5+
InChIKeyXIQVJSLOJWLIKA-VZUCSPMQSA-N
MW282.21 g/mol
LogP1.77
Rot. Bonds7

About (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid

(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid (PubChem CID 15107201) has the molecular formula C10H10N4O6 and a molecular weight of 282.21 g/mol. Its IUPAC name is (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid.

Molecular Properties

Compound Name(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
PubChem CID15107201
Molecular FormulaC10H10N4O6
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC Name(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
SMILESO=C(O)CC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O6/c15-10(16)2-1-5-11-12-8-4-3-7(13(17)18)6-9(8)14(19)20/h3-6,12H,1-2H2,(H,15,16)/b11-5+
InChIKeyXIQVJSLOJWLIKA-VZUCSPMQSA-N
XLogP1.77
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 51.77
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

N-[(E)-3-aminopropylideneamino]-2,4-dinitroaniline
CID 22462640
2-[4-[(2,4-dinitrophenyl)hydrazinylidene]butyl]guanidine
CID 71322336
2,4-dinitro-N-(penta-3,4-dienylideneamino)aniline
CID 131855224
2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid
CID 71424197
N-[(E)-[(E)-24-chlorotetracos-12-enylidene]amino]-2,4-dinitroaniline
CID 10769296
N-[(E)-[(Z)-3-methylpent-2-enylidene]amino]-2,4-dinitroaniline
CID 21233701
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782
2-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 21370898
N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
CID 14950104
2,4-dinitro-N-[[(E)-pent-2-enylidene]amino]aniline
CID 131874424
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]cyclohexane-1-carboxylic acid
CID 54612165
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid?
The IUPAC name of (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid (CID 15107201) is (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid.
What is the SMILES notation for (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid?
The canonical SMILES for (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid is O=C(O)CC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid?
The InChIKey is XIQVJSLOJWLIKA-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H10N4O6/c15-10(16)2-1-5-11-12-8-4-3-7(13(17)18)6-9(8)14(19)20/h3-6,12H,1-2H2,(H,15,16)/b11-5+.
What are the key properties of (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid?
(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid has a molecular weight of 282.21 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid is sourced from PubChem (CID 15107201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).