2-methyl-3-triphenylsilyloxyiminopropanenitrile

C22H20N2OSi — CID 140887362

IUPAC2-methyl-3-triphenylsilyloxyiminopropanenitrile
SMILESCC(C#N)C=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2OSi/c1-19(17-23)18-24-25-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18-19H,1H3
InChIKeyBBFBHFUMXXUWQN-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.82
Rot. Bonds6

About 2-methyl-3-triphenylsilyloxyiminopropanenitrile

2-methyl-3-triphenylsilyloxyiminopropanenitrile (PubChem CID 140887362) has the molecular formula C22H20N2OSi and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-methyl-3-triphenylsilyloxyiminopropanenitrile.

Molecular Properties

Compound Name2-methyl-3-triphenylsilyloxyiminopropanenitrile
PubChem CID140887362
Molecular FormulaC22H20N2OSi
Molecular Weight356.50 g/mol
Exact Mass356.13
IUPAC Name2-methyl-3-triphenylsilyloxyiminopropanenitrile
SMILESCC(C#N)C=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2OSi/c1-19(17-23)18-24-25-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18-19H,1H3
InChIKeyBBFBHFUMXXUWQN-UHFFFAOYSA-N
XLogP2.82
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.82
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-methyl-3-triphenylsilyloxyiminopropanenitrile?
The IUPAC name of 2-methyl-3-triphenylsilyloxyiminopropanenitrile (CID 140887362) is 2-methyl-3-triphenylsilyloxyiminopropanenitrile.
What is the SMILES notation for 2-methyl-3-triphenylsilyloxyiminopropanenitrile?
The canonical SMILES for 2-methyl-3-triphenylsilyloxyiminopropanenitrile is CC(C#N)C=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-3-triphenylsilyloxyiminopropanenitrile?
The InChIKey is BBFBHFUMXXUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OSi/c1-19(17-23)18-24-25-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18-19H,1H3.
What are the key properties of 2-methyl-3-triphenylsilyloxyiminopropanenitrile?
2-methyl-3-triphenylsilyloxyiminopropanenitrile has a molecular weight of 356.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-triphenylsilyloxyiminopropanenitrile is sourced from PubChem (CID 140887362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).