pyrrolidin-1-ylmethoxysilane

C5H13NOSi — CID 154479842

IUPACpyrrolidin-1-ylmethoxysilane
SMILES[SiH3]OCN1CCCC1
InChIInChI=1S/C5H13NOSi/c8-7-5-6-3-1-2-4-6/h1-5H2,8H3
InChIKeyZELPBUBPFCIQAU-UHFFFAOYSA-N
MW131.25 g/mol
LogP-0.66
Rot. Bonds2

About pyrrolidin-1-ylmethoxysilane

pyrrolidin-1-ylmethoxysilane (PubChem CID 154479842) has the molecular formula C5H13NOSi and a molecular weight of 131.25 g/mol. Its IUPAC name is pyrrolidin-1-ylmethoxysilane.

Molecular Properties

Compound Namepyrrolidin-1-ylmethoxysilane
PubChem CID154479842
Molecular FormulaC5H13NOSi
Molecular Weight131.25 g/mol
Exact Mass131.08
IUPAC Namepyrrolidin-1-ylmethoxysilane
SMILES[SiH3]OCN1CCCC1
InChIInChI=1S/C5H13NOSi/c8-7-5-6-3-1-2-4-6/h1-5H2,8H3
InChIKeyZELPBUBPFCIQAU-UHFFFAOYSA-N
XLogP-0.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ylmethoxysilane?
The IUPAC name of pyrrolidin-1-ylmethoxysilane (CID 154479842) is pyrrolidin-1-ylmethoxysilane.
What is the SMILES notation for pyrrolidin-1-ylmethoxysilane?
The canonical SMILES for pyrrolidin-1-ylmethoxysilane is [SiH3]OCN1CCCC1.
What is the InChIKey of pyrrolidin-1-ylmethoxysilane?
The InChIKey is ZELPBUBPFCIQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOSi/c8-7-5-6-3-1-2-4-6/h1-5H2,8H3.
What are the key properties of pyrrolidin-1-ylmethoxysilane?
pyrrolidin-1-ylmethoxysilane has a molecular weight of 131.25 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylmethoxysilane is sourced from PubChem (CID 154479842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).