(2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide

C9H6N4O4 — CID 51031216

IUPAC(2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide
SMILESN#C/C(=N\O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H6N4O4/c10-5-8(12-15)9(14)11-6-1-3-7(4-2-6)13(16)17/h1-4,15H,(H,11,14)/b12-8+
InChIKeyLKRNKLPHKXUAEB-XYOKQWHBSA-N
MW234.17 g/mol
LogP0.89
Rot. Bonds3

About (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide

(2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide (PubChem CID 51031216) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide
PubChem CID51031216
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC Name(2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide
SMILESN#C/C(=N\O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H6N4O4/c10-5-8(12-15)9(14)11-6-1-3-7(4-2-6)13(16)17/h1-4,15H,(H,11,14)/b12-8+
InChIKeyLKRNKLPHKXUAEB-XYOKQWHBSA-N
XLogP0.89
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(4-nitrophenyl)formamide
CID 10607728
methyl 2-(4-nitroanilino)-2-oxoacetate
CID 12778881
3-imino-2-nitro-N-(4-nitrophenyl)prop-2-enamide
CID 176517020
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
methyl 2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 71330620
(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
CID 108852937
2-cyano-3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3134707
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
(Z)-2-cyano-3-(2,6-dimethylanilino)-N-(4-nitrophenyl)prop-2-enamide
CID 108853155
(E)-2-cyano-N-(4-nitrophenyl)-3-thiophen-3-ylprop-2-enamide
CID 17372427
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108852902
(Z)-2-cyano-N-(4-nitrophenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108853152

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide?
The IUPAC name of (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide (CID 51031216) is (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide?
The canonical SMILES for (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide is N#C/C(=N\O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide?
The InChIKey is LKRNKLPHKXUAEB-XYOKQWHBSA-N. The full InChI is InChI=1S/C9H6N4O4/c10-5-8(12-15)9(14)11-6-1-3-7(4-2-6)13(16)17/h1-4,15H,(H,11,14)/b12-8+.
What are the key properties of (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide?
(2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide has a molecular weight of 234.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-hydroxyimino-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 51031216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).