N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide

C8H9N3O4 — CID 17052821

IUPACN'-hydroxy-2-(4-nitrophenoxy)ethanimidamide
SMILESN/C(COc1ccc([N+](=O)[O-])cc1)=N\O
InChIInChI=1S/C8H9N3O4/c9-8(10-12)5-15-7-3-1-6(2-4-7)11(13)14/h1-4,12H,5H2,(H2,9,10)
InChIKeyABSHCTYQDZZGFT-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.72
Rot. Bonds4

About N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide

N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide (PubChem CID 17052821) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-nitrophenoxy)ethanimidamide
PubChem CID17052821
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN'-hydroxy-2-(4-nitrophenoxy)ethanimidamide
SMILESN/C(COc1ccc([N+](=O)[O-])cc1)=N\O
InChIInChI=1S/C8H9N3O4/c9-8(10-12)5-15-7-3-1-6(2-4-7)11(13)14/h1-4,12H,5H2,(H2,9,10)
InChIKeyABSHCTYQDZZGFT-UHFFFAOYSA-N
XLogP0.72
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-methoxy-3-(4-nitrophenoxy)propan-2-one
CID 107508000
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
CID 153008841
CID 153008841
[[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885591
[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate
CID 5348128
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate
CID 2204314
[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea
CID 32580686
N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
CID 71951323
2-(4-nitrophenoxy)ethyl 2-(4-methylphenoxy)acetate
CID 2414866

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide (CID 17052821) is N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide is N/C(COc1ccc([N+](=O)[O-])cc1)=N\O.
What is the InChIKey of N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide?
The InChIKey is ABSHCTYQDZZGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-8(10-12)5-15-7-3-1-6(2-4-7)11(13)14/h1-4,12H,5H2,(H2,9,10).
What are the key properties of N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide?
N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide has a molecular weight of 211.18 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide is sourced from PubChem (CID 17052821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).