1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile

C9H18N2OSi — CID 62976417

IUPAC1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)(O[Si](C)(C)C)C1
InChIInChI=1S/C9H18N2OSi/c1-11-6-5-9(7-10,8-11)12-13(2,3)4/h5-6,8H2,1-4H3
InChIKeyPVADHOCPWRVZQP-UHFFFAOYSA-N
MW198.34 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile

1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile (PubChem CID 62976417) has the molecular formula C9H18N2OSi and a molecular weight of 198.34 g/mol. Its IUPAC name is 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile
PubChem CID62976417
Molecular FormulaC9H18N2OSi
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Name1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)(O[Si](C)(C)C)C1
InChIInChI=1S/C9H18N2OSi/c1-11-6-5-9(7-10,8-11)12-13(2,3)4/h5-6,8H2,1-4H3
InChIKeyPVADHOCPWRVZQP-UHFFFAOYSA-N
XLogP1.44
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile?
The IUPAC name of 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile (CID 62976417) is 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile?
The canonical SMILES for 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile is CN1CCC(C#N)(O[Si](C)(C)C)C1.
What is the InChIKey of 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile?
The InChIKey is PVADHOCPWRVZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OSi/c1-11-6-5-9(7-10,8-11)12-13(2,3)4/h5-6,8H2,1-4H3.
What are the key properties of 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile?
1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile has a molecular weight of 198.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-trimethylsilyloxypyrrolidine-3-carbonitrile is sourced from PubChem (CID 62976417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).