3-trimethylsilyloxyiminobutanenitrile

C7H14N2OSi — CID 140887440

IUPAC3-trimethylsilyloxyiminobutanenitrile
SMILESCC(CC#N)=NO[Si](C)(C)C
InChIInChI=1S/C7H14N2OSi/c1-7(5-6-8)9-10-11(2,3)4/h5H2,1-4H3
InChIKeyLMNZJEPQOLKZHX-UHFFFAOYSA-N
MW170.29 g/mol
LogP2.13
Rot. Bonds3

About 3-trimethylsilyloxyiminobutanenitrile

3-trimethylsilyloxyiminobutanenitrile (PubChem CID 140887440) has the molecular formula C7H14N2OSi and a molecular weight of 170.29 g/mol. Its IUPAC name is 3-trimethylsilyloxyiminobutanenitrile.

Molecular Properties

Compound Name3-trimethylsilyloxyiminobutanenitrile
PubChem CID140887440
Molecular FormulaC7H14N2OSi
Molecular Weight170.29 g/mol
Exact Mass170.09
IUPAC Name3-trimethylsilyloxyiminobutanenitrile
SMILESCC(CC#N)=NO[Si](C)(C)C
InChIInChI=1S/C7H14N2OSi/c1-7(5-6-8)9-10-11(2,3)4/h5H2,1-4H3
InChIKeyLMNZJEPQOLKZHX-UHFFFAOYSA-N
XLogP2.13
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.29
LogP ≤ 52.13
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-trimethylsilyloxyiminobutanenitrile?
The IUPAC name of 3-trimethylsilyloxyiminobutanenitrile (CID 140887440) is 3-trimethylsilyloxyiminobutanenitrile.
What is the SMILES notation for 3-trimethylsilyloxyiminobutanenitrile?
The canonical SMILES for 3-trimethylsilyloxyiminobutanenitrile is CC(CC#N)=NO[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloxyiminobutanenitrile?
The InChIKey is LMNZJEPQOLKZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OSi/c1-7(5-6-8)9-10-11(2,3)4/h5H2,1-4H3.
What are the key properties of 3-trimethylsilyloxyiminobutanenitrile?
3-trimethylsilyloxyiminobutanenitrile has a molecular weight of 170.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxyiminobutanenitrile is sourced from PubChem (CID 140887440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).