N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide

C16H15NO2 — CID 6368869

IUPACN-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide
SMILESC/[N+]([O-])=C\CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/b17-12+
InChIKeyLULQNUWRFIBRLJ-SFQUDFHCSA-N
MW253.30 g/mol
LogP3.14
Rot. Bonds4

About N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide

N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide (PubChem CID 6368869) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide.

Molecular Properties

Compound NameN-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide
PubChem CID6368869
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide
SMILESC/[N+]([O-])=C\CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/b17-12+
InChIKeyLULQNUWRFIBRLJ-SFQUDFHCSA-N
XLogP3.14
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 ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide?
The IUPAC name of N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide (CID 6368869) is N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide.
What is the SMILES notation for N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide?
The canonical SMILES for N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide is C/[N+]([O-])=C\CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide?
The InChIKey is LULQNUWRFIBRLJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/b17-12+.
What are the key properties of N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide?
N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide has a molecular weight of 253.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-3-(4-phenylphenyl)propan-1-imine oxide is sourced from PubChem (CID 6368869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).