3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one

C8H17NOSi — CID 173345695

IUPAC3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(C[SiH](C)C)C1=O
InChIInChI=1S/C8H17NOSi/c1-9-5-4-7(8(9)10)6-11(2)3/h7,11H,4-6H2,1-3H3
InChIKeyXVXZZQBXGUIOJR-UHFFFAOYSA-N
MW171.32 g/mol
LogP0.95
Rot. Bonds2

About 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one

3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one (PubChem CID 173345695) has the molecular formula C8H17NOSi and a molecular weight of 171.32 g/mol. Its IUPAC name is 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one
PubChem CID173345695
Molecular FormulaC8H17NOSi
Molecular Weight171.32 g/mol
Exact Mass171.11
IUPAC Name3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(C[SiH](C)C)C1=O
InChIInChI=1S/C8H17NOSi/c1-9-5-4-7(8(9)10)6-11(2)3/h7,11H,4-6H2,1-3H3
InChIKeyXVXZZQBXGUIOJR-UHFFFAOYSA-N
XLogP0.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one (CID 173345695) is 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one is CN1CCC(C[SiH](C)C)C1=O.
What is the InChIKey of 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one?
The InChIKey is XVXZZQBXGUIOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOSi/c1-9-5-4-7(8(9)10)6-11(2)3/h7,11H,4-6H2,1-3H3.
What are the key properties of 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one?
3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one has a molecular weight of 171.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsilylmethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 173345695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).