N'-hydroxy-2-(3-nitrophenyl)ethanimidamide

C8H9N3O3 — CID 87295846

IUPACN'-hydroxy-2-(3-nitrophenyl)ethanimidamide
SMILESN/C(Cc1cccc([N+](=O)[O-])c1)=N\O
InChIInChI=1S/C8H9N3O3/c9-8(10-12)5-6-2-1-3-7(4-6)11(13)14/h1-4,12H,5H2,(H2,9,10)
InChIKeyCRUBFDZBZDIVDL-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.88
Rot. Bonds3

About N'-hydroxy-2-(3-nitrophenyl)ethanimidamide

N'-hydroxy-2-(3-nitrophenyl)ethanimidamide (PubChem CID 87295846) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N'-hydroxy-2-(3-nitrophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-nitrophenyl)ethanimidamide
PubChem CID87295846
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN'-hydroxy-2-(3-nitrophenyl)ethanimidamide
SMILESN/C(Cc1cccc([N+](=O)[O-])c1)=N\O
InChIInChI=1S/C8H9N3O3/c9-8(10-12)5-6-2-1-3-7(4-6)11(13)14/h1-4,12H,5H2,(H2,9,10)
InChIKeyCRUBFDZBZDIVDL-UHFFFAOYSA-N
XLogP0.88
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

sodium 2-(3-nitrophenyl)acetate
CID 20571503
1-amino-2-(3-nitrophenyl)ethanol
CID 67570704
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
CID 157363920
CID 157363920
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
N'-hydroxy-2-phenylethanimidamide
CID 6074309
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
3-methyl-N'-[(3-nitrophenyl)methoxy]butanimidamide
CID 103598784
(3-nitrophenyl)methanesulfonic acid;hydrochloride
CID 174623089
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
phenyl 2-(3-nitrophenyl)acetate
CID 86103388

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-nitrophenyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(3-nitrophenyl)ethanimidamide (CID 87295846) is N'-hydroxy-2-(3-nitrophenyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-nitrophenyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-nitrophenyl)ethanimidamide is N/C(Cc1cccc([N+](=O)[O-])c1)=N\O.
What is the InChIKey of N'-hydroxy-2-(3-nitrophenyl)ethanimidamide?
The InChIKey is CRUBFDZBZDIVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-8(10-12)5-6-2-1-3-7(4-6)11(13)14/h1-4,12H,5H2,(H2,9,10).
What are the key properties of N'-hydroxy-2-(3-nitrophenyl)ethanimidamide?
N'-hydroxy-2-(3-nitrophenyl)ethanimidamide has a molecular weight of 195.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-nitrophenyl)ethanimidamide is sourced from PubChem (CID 87295846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).