N-hydroxy-2-phenylethanimine oxide

C8H9NO2 — CID 126843460

IUPACN-hydroxy-2-phenylethanimine oxide
SMILES[O-][N+](O)=CCc1ccccc1
InChIInChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11)
InChIKeyKUPCZGVUUHIRGX-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.20
Rot. Bonds2

About N-hydroxy-2-phenylethanimine oxide

N-hydroxy-2-phenylethanimine oxide (PubChem CID 126843460) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is N-hydroxy-2-phenylethanimine oxide.

Molecular Properties

Compound NameN-hydroxy-2-phenylethanimine oxide
PubChem CID126843460
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC NameN-hydroxy-2-phenylethanimine oxide
SMILES[O-][N+](O)=CCc1ccccc1
InChIInChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11)
InChIKeyKUPCZGVUUHIRGX-UHFFFAOYSA-N
XLogP1.20
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-phenylethanimine oxide?
The IUPAC name of N-hydroxy-2-phenylethanimine oxide (CID 126843460) is N-hydroxy-2-phenylethanimine oxide.
What is the SMILES notation for N-hydroxy-2-phenylethanimine oxide?
The canonical SMILES for N-hydroxy-2-phenylethanimine oxide is [O-][N+](O)=CCc1ccccc1.
What is the InChIKey of N-hydroxy-2-phenylethanimine oxide?
The InChIKey is KUPCZGVUUHIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11).
What are the key properties of N-hydroxy-2-phenylethanimine oxide?
N-hydroxy-2-phenylethanimine oxide has a molecular weight of 151.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenylethanimine oxide is sourced from PubChem (CID 126843460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).