3-trimethylsilyloxyiminopropanenitrile

C6H12N2OSi — CID 140887410

IUPAC3-trimethylsilyloxyiminopropanenitrile
SMILESC[Si](C)(C)ON=CCC#N
InChIInChI=1S/C6H12N2OSi/c1-10(2,3)9-8-6-4-5-7/h6H,4H2,1-3H3
InChIKeyZFHVSZBPSCTOPW-UHFFFAOYSA-N
MW156.26 g/mol
LogP1.74
Rot. Bonds3

About 3-trimethylsilyloxyiminopropanenitrile

3-trimethylsilyloxyiminopropanenitrile (PubChem CID 140887410) has the molecular formula C6H12N2OSi and a molecular weight of 156.26 g/mol. Its IUPAC name is 3-trimethylsilyloxyiminopropanenitrile.

Molecular Properties

Compound Name3-trimethylsilyloxyiminopropanenitrile
PubChem CID140887410
Molecular FormulaC6H12N2OSi
Molecular Weight156.26 g/mol
Exact Mass156.07
IUPAC Name3-trimethylsilyloxyiminopropanenitrile
SMILESC[Si](C)(C)ON=CCC#N
InChIInChI=1S/C6H12N2OSi/c1-10(2,3)9-8-6-4-5-7/h6H,4H2,1-3H3
InChIKeyZFHVSZBPSCTOPW-UHFFFAOYSA-N
XLogP1.74
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.26
LogP ≤ 51.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxyiminopropanenitrile?
The IUPAC name of 3-trimethylsilyloxyiminopropanenitrile (CID 140887410) is 3-trimethylsilyloxyiminopropanenitrile.
What is the SMILES notation for 3-trimethylsilyloxyiminopropanenitrile?
The canonical SMILES for 3-trimethylsilyloxyiminopropanenitrile is C[Si](C)(C)ON=CCC#N.
What is the InChIKey of 3-trimethylsilyloxyiminopropanenitrile?
The InChIKey is ZFHVSZBPSCTOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OSi/c1-10(2,3)9-8-6-4-5-7/h6H,4H2,1-3H3.
What are the key properties of 3-trimethylsilyloxyiminopropanenitrile?
3-trimethylsilyloxyiminopropanenitrile has a molecular weight of 156.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxyiminopropanenitrile is sourced from PubChem (CID 140887410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).