N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide

C10H10N4O5 — CID 135813962

IUPACN'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O5/c1-11-9(16)10(17)13-12-5-6-2-3-8(15)7(4-6)14(18)19/h2-5,15H,1H3,(H,11,16)(H,13,17)/b12-5-
InChIKeyRXXDWEPQGVJLOD-XGICHPGQSA-N
MW266.21 g/mol
LogP-0.50
Rot. Bonds3

About N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide

N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide (PubChem CID 135813962) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
PubChem CID135813962
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC NameN'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O5/c1-11-9(16)10(17)13-12-5-6-2-3-8(15)7(4-6)14(18)19/h2-5,15H,1H3,(H,11,16)(H,13,17)/b12-5-
InChIKeyRXXDWEPQGVJLOD-XGICHPGQSA-N
XLogP-0.50
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135813981
N-(4-ethylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813977
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135813958
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
N-(2-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813990
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813992
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 135813942
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide (CID 135813962) is N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide?
The InChIKey is RXXDWEPQGVJLOD-XGICHPGQSA-N. The full InChI is InChI=1S/C10H10N4O5/c1-11-9(16)10(17)13-12-5-6-2-3-8(15)7(4-6)14(18)19/h2-5,15H,1H3,(H,11,16)(H,13,17)/b12-5-.
What are the key properties of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide?
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide has a molecular weight of 266.21 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide is sourced from PubChem (CID 135813962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).