2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide

C9H9N3O4 — CID 76605155

IUPAC2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide
SMILESCc1cccc(NC(=O)C=NO)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c1-6-3-2-4-7(9(6)12(15)16)11-8(13)5-10-14/h2-5,14H,1H3,(H,11,13)
InChIKeyUABVFHDWCAFISO-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.30
Rot. Bonds3

About 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide

2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide (PubChem CID 76605155) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide
PubChem CID76605155
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide
SMILESCc1cccc(NC(=O)C=NO)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N3O4/c1-6-3-2-4-7(9(6)12(15)16)11-8(13)5-10-14/h2-5,14H,1H3,(H,11,13)
InChIKeyUABVFHDWCAFISO-UHFFFAOYSA-N
XLogP1.30
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.30
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
N-(2,2-dimethylpropyl)-3-methyl-2-nitroaniline
CID 102605102
3-methyl-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 102604991
N-(2-carbamoyl-3-methylphenyl)-3-methyl-2-nitrobenzamide
CID 87006002
3-(3-methyl-2-nitroanilino)butan-1-ol
CID 102605197
4-(3-methyl-2-nitroanilino)pentan-2-ol
CID 102606014
1,1-difluoro-3-(3-methyl-2-nitroanilino)propan-2-ol
CID 114093804
silver 3-methyl-2-nitrobenzoate
CID 162078770
3-acetamido-2-nitrobenzoate
CID 7154741
1-(3-methyl-2-nitroanilino)pentan-3-ol
CID 102605253
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide (CID 76605155) is 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide is Cc1cccc(NC(=O)C=NO)c1[N+](=O)[O-].
What is the InChIKey of 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide?
The InChIKey is UABVFHDWCAFISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-6-3-2-4-7(9(6)12(15)16)11-8(13)5-10-14/h2-5,14H,1H3,(H,11,13).
What are the key properties of 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide?
2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide has a molecular weight of 223.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-(3-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 76605155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).