[(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane

C16H25NSi — CID 10467806

IUPAC[(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane
SMILES[2H]/C(=C1/CN(Cc2ccccc2)CC1C)[Si](C)(C)C
InChIInChI=1S/C16H25NSi/c1-14-10-17(11-15-8-6-5-7-9-15)12-16(14)13-18(2,3)4/h5-9,13-14H,10-12H2,1-4H3/b16-13+/i13D
InChIKeyJFCCOQIXBCPMCF-SSEUTLCASA-N
MW260.48 g/mol
LogP3.94
Rot. Bonds3

About [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane

[(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane (PubChem CID 10467806) has the molecular formula C16H25NSi and a molecular weight of 260.48 g/mol. Its IUPAC name is [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane
PubChem CID10467806
Molecular FormulaC16H25NSi
Molecular Weight260.48 g/mol
Exact Mass260.18
IUPAC Name[(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane
SMILES[2H]/C(=C1/CN(Cc2ccccc2)CC1C)[Si](C)(C)C
InChIInChI=1S/C16H25NSi/c1-14-10-17(11-15-8-6-5-7-9-15)12-16(14)13-18(2,3)4/h5-9,13-14H,10-12H2,1-4H3/b16-13+/i13D
InChIKeyJFCCOQIXBCPMCF-SSEUTLCASA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane 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 [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane?
The IUPAC name of [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane (CID 10467806) is [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane.
What is the SMILES notation for [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane?
The canonical SMILES for [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane is [2H]/C(=C1/CN(Cc2ccccc2)CC1C)[Si](C)(C)C.
What is the InChIKey of [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane?
The InChIKey is JFCCOQIXBCPMCF-SSEUTLCASA-N. The full InChI is InChI=1S/C16H25NSi/c1-14-10-17(11-15-8-6-5-7-9-15)12-16(14)13-18(2,3)4/h5-9,13-14H,10-12H2,1-4H3/b16-13+/i13D.
What are the key properties of [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane?
[(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane has a molecular weight of 260.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-benzyl-4-methylpyrrolidin-3-ylidene)-deuteriomethyl]-trimethylsilane is sourced from PubChem (CID 10467806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).