(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid

C12H14N4O6 — CID 14777756

IUPAC(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid
SMILESCCC(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C12H14N4O6/c1-3-7(2)11(12(17)18)14-13-9-5-4-8(15(19)20)6-10(9)16(21)22/h4-7,13H,3H2,1-2H3,(H,17,18)/b14-11-
InChIKeyFRTLHACSPMJECM-KAMYIIQDSA-N
MW310.27 g/mol
LogP2.40
Rot. Bonds7

About (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid

(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid (PubChem CID 14777756) has the molecular formula C12H14N4O6 and a molecular weight of 310.27 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid
PubChem CID14777756
Molecular FormulaC12H14N4O6
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Name(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid
SMILESCCC(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C12H14N4O6/c1-3-7(2)11(12(17)18)14-13-9-5-4-8(15(19)20)6-10(9)16(21)22/h4-7,13H,3H2,1-2H3,(H,17,18)/b14-11-
InChIKeyFRTLHACSPMJECM-KAMYIIQDSA-N
XLogP2.40
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.40
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

(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
N-(2-methylpent-1-en-3-ylideneamino)-2,4-dinitroaniline
CID 131875295
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
2,4-dinitro-N-[1-(4-propan-2-ylphenyl)propylideneamino]aniline
CID 4218707
diethyl 2,4-bis[N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-3-methylpentanedioate
CID 71401456
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]hexane-2,3-diol
CID 6045361
ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate
CID 10685397
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
2,4-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]aniline
CID 5385748
2,4-dinitro-N-[(Z)-1-phenylbutylideneamino]aniline
CID 6105223
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
ethyl (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methoxycarbonyloxy-3-phenylpropanoate
CID 10813253

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid?
The IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid (CID 14777756) is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid.
What is the SMILES notation for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid?
The canonical SMILES for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid is CCC(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid?
The InChIKey is FRTLHACSPMJECM-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H14N4O6/c1-3-7(2)11(12(17)18)14-13-9-5-4-8(15(19)20)6-10(9)16(21)22/h4-7,13H,3H2,1-2H3,(H,17,18)/b14-11-.
What are the key properties of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid?
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid has a molecular weight of 310.27 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid is sourced from PubChem (CID 14777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).