N'-hydroxy-2-nitroso-2-phenylethanimidamide

C8H9N3O2 — CID 123575008

IUPACN'-hydroxy-2-nitroso-2-phenylethanimidamide
SMILESNC(=NO)C(N=O)c1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(11-13)7(10-12)6-4-2-1-3-5-6/h1-5,7,13H,(H2,9,11)
InChIKeyXWTUJRNPCHBIIH-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.24
Rot. Bonds3

About N'-hydroxy-2-nitroso-2-phenylethanimidamide

N'-hydroxy-2-nitroso-2-phenylethanimidamide (PubChem CID 123575008) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N'-hydroxy-2-nitroso-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-nitroso-2-phenylethanimidamide
PubChem CID123575008
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN'-hydroxy-2-nitroso-2-phenylethanimidamide
SMILESNC(=NO)C(N=O)c1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(11-13)7(10-12)6-4-2-1-3-5-6/h1-5,7,13H,(H2,9,11)
InChIKeyXWTUJRNPCHBIIH-UHFFFAOYSA-N
XLogP1.24
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.24
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-nitroso-2-phenylethanimidamide?
The IUPAC name of N'-hydroxy-2-nitroso-2-phenylethanimidamide (CID 123575008) is N'-hydroxy-2-nitroso-2-phenylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-nitroso-2-phenylethanimidamide?
The canonical SMILES for N'-hydroxy-2-nitroso-2-phenylethanimidamide is NC(=NO)C(N=O)c1ccccc1.
What is the InChIKey of N'-hydroxy-2-nitroso-2-phenylethanimidamide?
The InChIKey is XWTUJRNPCHBIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(11-13)7(10-12)6-4-2-1-3-5-6/h1-5,7,13H,(H2,9,11).
What are the key properties of N'-hydroxy-2-nitroso-2-phenylethanimidamide?
N'-hydroxy-2-nitroso-2-phenylethanimidamide has a molecular weight of 179.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-nitroso-2-phenylethanimidamide is sourced from PubChem (CID 123575008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).