N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide

C11H14N2O2 — CID 5338880

IUPACN-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide
SMILESCC(C)(/C=N/O)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-11(2,9-12-14)13(15)8-10-6-4-3-5-7-10/h3-9,14H,1-2H3/b12-9+,13-8-
InChIKeyILQZGEKYGSPTGA-OYQWPQAFSA-N
MW206.25 g/mol
LogP1.85
Rot. Bonds3

About N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide

N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide (PubChem CID 5338880) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide
PubChem CID5338880
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide
SMILESCC(C)(/C=N/O)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-11(2,9-12-14)13(15)8-10-6-4-3-5-7-10/h3-9,14H,1-2H3/b12-9+,13-8-
InChIKeyILQZGEKYGSPTGA-OYQWPQAFSA-N
XLogP1.85
TPSA58.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde Oxime
CID 5324611
N-tert-Butyl-alpha-phenylnitrone
CID 638877
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Terephthalaldehyde dioxime
CID 135482632
Cinnamaldehyde oxime
CID 9561350
Ethanamine, N-(phenylmethylene)-
CID 111239
Benzeneacetaldehyde, alpha-(hydroxyimino)-, oxime
CID 135533051
N-methyl-alpha-phenylnitrone
CID 819870
4-Methylbenzaldehyde oxime
CID 5372131
N-((2-methylphenyl)methylidene)hydroxylamine
CID 6904185
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide?
The IUPAC name of N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide (CID 5338880) is N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide.
What is the SMILES notation for N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide?
The canonical SMILES for N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide is CC(C)(/C=N/O)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide?
The InChIKey is ILQZGEKYGSPTGA-OYQWPQAFSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,9-12-14)13(15)8-10-6-4-3-5-7-10/h3-9,14H,1-2H3/b12-9+,13-8-.
What are the key properties of N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide?
N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide has a molecular weight of 206.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1-phenylmethanimine oxide is sourced from PubChem (CID 5338880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).