N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide

C11H15NO2 — CID 134892168

IUPACN-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide
SMILESC=[N+]([O-])C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,12(3)14)10(13)9-7-5-4-6-8-9/h4-8,10,13H,3H2,1-2H3
InChIKeyVGYSYOQUCIJDGF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.71
Rot. Bonds3

About N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide

N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide (PubChem CID 134892168) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide
PubChem CID134892168
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide
SMILESC=[N+]([O-])C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,12(3)14)10(13)9-7-5-4-6-8-9/h4-8,10,13H,3H2,1-2H3
InChIKeyVGYSYOQUCIJDGF-UHFFFAOYSA-N
XLogP1.71
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide?
The IUPAC name of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide (CID 134892168) is N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide.
What is the SMILES notation for N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide?
The canonical SMILES for N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide is C=[N+]([O-])C(C)(C)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide?
The InChIKey is VGYSYOQUCIJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,12(3)14)10(13)9-7-5-4-6-8-9/h4-8,10,13H,3H2,1-2H3.
What are the key properties of N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide?
N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide has a molecular weight of 193.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)methanimine oxide is sourced from PubChem (CID 134892168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).