2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide

C9H9N3O4 — CID 5414501

IUPAC2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CO)N/N=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c13-6-9(14)11-10-5-7-3-1-2-4-8(7)12(15)16/h1-5,13H,6H2,(H,11,14)/b10-5-
InChIKeyBMFPHSCTJXGAKD-YHYXMXQVSA-N
MW223.19 g/mol
LogP0.04
Rot. Bonds4

About 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide

2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 5414501) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
PubChem CID5414501
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CO)N/N=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c13-6-9(14)11-10-5-7-3-1-2-4-8(7)12(15)16/h1-5,13H,6H2,(H,11,14)/b10-5-
InChIKeyBMFPHSCTJXGAKD-YHYXMXQVSA-N
XLogP0.04
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 126228664
2-(2-methyl-1,3-dithiolan-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6219950
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6062602
(4R)-4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-phenylbutanamide
CID 94833743
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
N-(2-methoxyethyl)-N'-[(2-nitrophenyl)methylideneamino]propanediamide
CID 3511498

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide (CID 5414501) is 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is O=C(CO)N/N=C\c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is BMFPHSCTJXGAKD-YHYXMXQVSA-N. The full InChI is InChI=1S/C9H9N3O4/c13-6-9(14)11-10-5-7-3-1-2-4-8(7)12(15)16/h1-5,13H,6H2,(H,11,14)/b10-5-.
What are the key properties of 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide?
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 223.19 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5414501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).