N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide

C10H11N3O4 — CID 135510253

IUPACN'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(N)=O)c1ccc(O)cc1O
InChIInChI=1S/C10H11N3O4/c1-5(12-13-10(17)9(11)16)7-3-2-6(14)4-8(7)15/h2-4,14-15H,1H3,(H2,11,16)(H,13,17)/b12-5+
InChIKeyFFNDIGNUTOLLPP-LFYBBSHMSA-N
MW237.22 g/mol
LogP-0.58
Rot. Bonds2

About N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide

N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide (PubChem CID 135510253) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
PubChem CID135510253
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(N)=O)c1ccc(O)cc1O
InChIInChI=1S/C10H11N3O4/c1-5(12-13-10(17)9(11)16)7-3-2-6(14)4-8(7)15/h2-4,14-15H,1H3,(H2,11,16)(H,13,17)/b12-5+
InChIKeyFFNDIGNUTOLLPP-LFYBBSHMSA-N
XLogP-0.58
TPSA125.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide (CID 135510253) is N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide is C/C(=N\NC(=O)C(N)=O)c1ccc(O)cc1O.
What is the InChIKey of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
The InChIKey is FFNDIGNUTOLLPP-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-5(12-13-10(17)9(11)16)7-3-2-6(14)4-8(7)15/h2-4,14-15H,1H3,(H2,11,16)(H,13,17)/b12-5+.
What are the key properties of N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide has a molecular weight of 237.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 135510253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).