3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one

C11H21NOSi — CID 130891796

IUPAC3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one
SMILESCC(C)CC=C1C(=O)NC1[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-8(2)6-7-9-10(13)12-11(9)14(3,4)5/h7-8,11H,6H2,1-5H3,(H,12,13)
InChIKeyDVAJMCUOUXSYGJ-UHFFFAOYSA-N
MW211.38 g/mol
LogP2.33
Rot. Bonds3

About 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one

3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one (PubChem CID 130891796) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one.

Molecular Properties

Compound Name3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one
PubChem CID130891796
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one
SMILESCC(C)CC=C1C(=O)NC1[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-8(2)6-7-9-10(13)12-11(9)14(3,4)5/h7-8,11H,6H2,1-5H3,(H,12,13)
InChIKeyDVAJMCUOUXSYGJ-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one?
The IUPAC name of 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one (CID 130891796) is 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one.
What is the SMILES notation for 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one?
The canonical SMILES for 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one is CC(C)CC=C1C(=O)NC1[Si](C)(C)C.
What is the InChIKey of 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one?
The InChIKey is DVAJMCUOUXSYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOSi/c1-8(2)6-7-9-10(13)12-11(9)14(3,4)5/h7-8,11H,6H2,1-5H3,(H,12,13).
What are the key properties of 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one?
3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one has a molecular weight of 211.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylidene)-4-trimethylsilylazetidin-2-one is sourced from PubChem (CID 130891796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).