ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate

C10H11N5O6 — CID 10685397

IUPACethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O6/c1-2-21-10(16)9(11)13-12-7-4-3-6(14(17)18)5-8(7)15(19)20/h3-5,12H,2H2,1H3,(H2,11,13)
InChIKeyIRBBPQWSAABNCS-UHFFFAOYSA-N
MW297.23 g/mol
LogP0.75
Rot. Bonds5

About ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate

ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate (PubChem CID 10685397) has the molecular formula C10H11N5O6 and a molecular weight of 297.23 g/mol. Its IUPAC name is ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate
PubChem CID10685397
Molecular FormulaC10H11N5O6
Molecular Weight297.23 g/mol
Exact Mass297.07
IUPAC Nameethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O6/c1-2-21-10(16)9(11)13-12-7-4-3-6(14(17)18)5-8(7)15(19)20/h3-5,12H,2H2,1H3,(H2,11,13)
InChIKeyIRBBPQWSAABNCS-UHFFFAOYSA-N
XLogP0.75
TPSA162.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

diethyl (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxohexanedioate
CID 42647602
dimethyl (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]butanedioate
CID 5378691
ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]pentanoate
CID 43835354
ethyl 6-chloro-2-[(2,4-dinitrophenyl)hydrazinylidene]hexanoate
CID 71389689
ethyl (2R)-2-[(Z)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]pentanoate
CID 40557519
diethyl 2,4-bis[N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-3-methylpentanedioate
CID 71401456
ethyl 2-[(2,4-dinitroanilino)diazenyl]acetate
CID 134985198
ethyl 2-chloro-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]acetate
CID 53395501
ethyl (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methoxycarbonyloxy-3-phenylpropanoate
CID 10813253
methyl 3-bromo-2-[(2,4-dinitrophenyl)hydrazinylidene]propanoate
CID 151575271
diethyl 2-[(4-methoxy-2-nitrophenyl)hydrazinylidene]propanedioate
CID 2739559
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate (CID 10685397) is ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate is CCOC(=O)/C(N)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate?
The InChIKey is IRBBPQWSAABNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O6/c1-2-21-10(16)9(11)13-12-7-4-3-6(14(17)18)5-8(7)15(19)20/h3-5,12H,2H2,1H3,(H2,11,13).
What are the key properties of ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate?
ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate has a molecular weight of 297.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-amino-2-[(2,4-dinitrophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 10685397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).