2-triphenylsilyloxyiminocyclobutane-1-carbonitrile

C23H20N2OSi — CID 140887378

IUPAC2-triphenylsilyloxyiminocyclobutane-1-carbonitrile
SMILESN#CC1CCC1=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2OSi/c24-18-19-16-17-23(19)25-26-27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19H,16-17H2
InChIKeyUQZQQFHHIHIIQX-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.96
Rot. Bonds5

About 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile

2-triphenylsilyloxyiminocyclobutane-1-carbonitrile (PubChem CID 140887378) has the molecular formula C23H20N2OSi and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-triphenylsilyloxyiminocyclobutane-1-carbonitrile
PubChem CID140887378
Molecular FormulaC23H20N2OSi
Molecular Weight368.51 g/mol
Exact Mass368.13
IUPAC Name2-triphenylsilyloxyiminocyclobutane-1-carbonitrile
SMILESN#CC1CCC1=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2OSi/c24-18-19-16-17-23(19)25-26-27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19H,16-17H2
InChIKeyUQZQQFHHIHIIQX-UHFFFAOYSA-N
XLogP2.96
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.96
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile?
The IUPAC name of 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile (CID 140887378) is 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile.
What is the SMILES notation for 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile?
The canonical SMILES for 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile is N#CC1CCC1=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile?
The InChIKey is UQZQQFHHIHIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OSi/c24-18-19-16-17-23(19)25-26-27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19H,16-17H2.
What are the key properties of 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile?
2-triphenylsilyloxyiminocyclobutane-1-carbonitrile has a molecular weight of 368.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylsilyloxyiminocyclobutane-1-carbonitrile is sourced from PubChem (CID 140887378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).