3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one

C11H23NOSi — CID 19705499

IUPAC3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one
SMILESCC(C)CC1CCN([Si](C)(C)C)C1=O
InChIInChI=1S/C11H23NOSi/c1-9(2)8-10-6-7-12(11(10)13)14(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyOYYMYMUDJBKIPW-UHFFFAOYSA-N
MW213.40 g/mol
LogP2.72
Rot. Bonds3

About 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one

3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one (PubChem CID 19705499) has the molecular formula C11H23NOSi and a molecular weight of 213.40 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one
PubChem CID19705499
Molecular FormulaC11H23NOSi
Molecular Weight213.40 g/mol
Exact Mass213.15
IUPAC Name3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one
SMILESCC(C)CC1CCN([Si](C)(C)C)C1=O
InChIInChI=1S/C11H23NOSi/c1-9(2)8-10-6-7-12(11(10)13)14(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyOYYMYMUDJBKIPW-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.40
LogP ≤ 52.72
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-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one?
The IUPAC name of 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one (CID 19705499) is 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one is CC(C)CC1CCN([Si](C)(C)C)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one?
The InChIKey is OYYMYMUDJBKIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOSi/c1-9(2)8-10-6-7-12(11(10)13)14(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one?
3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one has a molecular weight of 213.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 19705499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).