N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide

C16H15NO2 — CID 135050849

IUPACN-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
SMILESCC(C(=O)c1ccccc1)/[N+]([O-])=C\c1ccccc1
InChIInChI=1S/C16H15NO2/c1-13(16(18)15-10-6-3-7-11-15)17(19)12-14-8-4-2-5-9-14/h2-13H,1H3/b17-12+
InChIKeyRBRIHGQCUYNBTO-SFQUDFHCSA-N
MW253.30 g/mol
LogP2.89
Rot. Bonds4

About N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide

N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide (PubChem CID 135050849) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
PubChem CID135050849
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
SMILESCC(C(=O)c1ccccc1)/[N+]([O-])=C\c1ccccc1
InChIInChI=1S/C16H15NO2/c1-13(16(18)15-10-6-3-7-11-15)17(19)12-14-8-4-2-5-9-14/h2-13H,1H3/b17-12+
InChIKeyRBRIHGQCUYNBTO-SFQUDFHCSA-N
XLogP2.89
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
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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Related Compounds

1-phenyl-N-propan-2-ylmethanimine oxide
CID 10397124
1-phenyl-N-(1-phenylethyl)methanimine oxide
CID 23248118
1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
CID 11042403
N-(2-benzoylbutyl)-1-(4-fluorophenyl)methanimine oxide
CID 169493627
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
2-methyl-3-oxo-3-phenylpropanoate
CID 23290395
N-[(2R)-1-oxo-1-phenylpropan-2-yl]formamide
CID 130699282
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]-1-phenylmethanimine oxide
CID 46868396
1-(4-carboxyphenyl)-N-phenylmethanimine oxide
CID 118506239
2-anilino-1-phenylpropan-1-one
CID 577481

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The IUPAC name of N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide (CID 135050849) is N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide is CC(C(=O)c1ccccc1)/[N+]([O-])=C\c1ccccc1.
What is the InChIKey of N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
The InChIKey is RBRIHGQCUYNBTO-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13(16(18)15-10-6-3-7-11-15)17(19)12-14-8-4-2-5-9-14/h2-13H,1H3/b17-12+.
What are the key properties of N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide?
N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide has a molecular weight of 253.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide is sourced from PubChem (CID 135050849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).