N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide

C19H21NOSi — CID 11426797

IUPACN-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide
SMILESC[Si](C)(C)C#CCc1ccccc1/C=[N+](\[O-])c1ccccc1
InChIInChI=1S/C19H21NOSi/c1-22(2,3)15-9-12-17-10-7-8-11-18(17)16-20(21)19-13-5-4-6-14-19/h4-8,10-11,13-14,16H,12H2,1-3H3/b20-16-
InChIKeyRWBYJLSZCREGDP-SILNSSARSA-N
MW307.47 g/mol
LogP4.37
Rot. Bonds3

About N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide

N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide (PubChem CID 11426797) has the molecular formula C19H21NOSi and a molecular weight of 307.47 g/mol. Its IUPAC name is N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide.

Molecular Properties

Compound NameN-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide
PubChem CID11426797
Molecular FormulaC19H21NOSi
Molecular Weight307.47 g/mol
Exact Mass307.14
IUPAC NameN-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide
SMILESC[Si](C)(C)C#CCc1ccccc1/C=[N+](\[O-])c1ccccc1
InChIInChI=1S/C19H21NOSi/c1-22(2,3)15-9-12-17-10-7-8-11-18(17)16-20(21)19-13-5-4-6-14-19/h4-8,10-11,13-14,16H,12H2,1-3H3/b20-16-
InChIKeyRWBYJLSZCREGDP-SILNSSARSA-N
XLogP4.37
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide?
The IUPAC name of N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide (CID 11426797) is N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide.
What is the SMILES notation for N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide?
The canonical SMILES for N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide is C[Si](C)(C)C#CCc1ccccc1/C=[N+](\[O-])c1ccccc1.
What is the InChIKey of N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide?
The InChIKey is RWBYJLSZCREGDP-SILNSSARSA-N. The full InChI is InChI=1S/C19H21NOSi/c1-22(2,3)15-9-12-17-10-7-8-11-18(17)16-20(21)19-13-5-4-6-14-19/h4-8,10-11,13-14,16H,12H2,1-3H3/b20-16-.
What are the key properties of N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide?
N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide has a molecular weight of 307.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(3-trimethylsilylprop-2-ynyl)phenyl]methanimine oxide is sourced from PubChem (CID 11426797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).