N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide

C23H21NO3Se — CID 139265452

IUPACN-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide
SMILESCOC(=O)C([Se]c1ccccc1)C(c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C23H21NO3Se/c1-27-23(25)22(28-20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)24(26)17-18-11-5-2-6-12-18/h2-17,21-22H,1H3/b24-17-
InChIKeyFUMPXDZYMPJQRL-ULJHMMPZSA-N
MW438.39 g/mol
LogP3.35
Rot. Bonds7

About N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide

N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide (PubChem CID 139265452) has the molecular formula C23H21NO3Se and a molecular weight of 438.39 g/mol. Its IUPAC name is N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide
PubChem CID139265452
Molecular FormulaC23H21NO3Se
Molecular Weight438.39 g/mol
Exact Mass439.07
IUPAC NameN-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide
SMILESCOC(=O)C([Se]c1ccccc1)C(c1ccccc1)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C23H21NO3Se/c1-27-23(25)22(28-20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)24(26)17-18-11-5-2-6-12-18/h2-17,21-22H,1H3/b24-17-
InChIKeyFUMPXDZYMPJQRL-ULJHMMPZSA-N
XLogP3.35
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide (CID 139265452) is N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide is COC(=O)C([Se]c1ccccc1)C(c1ccccc1)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide?
The InChIKey is FUMPXDZYMPJQRL-ULJHMMPZSA-N. The full InChI is InChI=1S/C23H21NO3Se/c1-27-23(25)22(28-20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)24(26)17-18-11-5-2-6-12-18/h2-17,21-22H,1H3/b24-17-.
What are the key properties of N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide?
N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide has a molecular weight of 438.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-oxo-1-phenyl-2-phenylselanylpropyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 139265452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).