3-butyl-1-dimethylsilylazetidin-2-one

C9H19NOSi — CID 154225928

IUPAC3-butyl-1-dimethylsilylazetidin-2-one
SMILESCCCCC1CN([SiH](C)C)C1=O
InChIInChI=1S/C9H19NOSi/c1-4-5-6-8-7-10(9(8)11)12(2)3/h8,12H,4-7H2,1-3H3
InChIKeyHMMFPCFSBWRFFP-UHFFFAOYSA-N
MW185.34 g/mol
LogP1.62
Rot. Bonds4

About 3-butyl-1-dimethylsilylazetidin-2-one

3-butyl-1-dimethylsilylazetidin-2-one (PubChem CID 154225928) has the molecular formula C9H19NOSi and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-butyl-1-dimethylsilylazetidin-2-one.

Molecular Properties

Compound Name3-butyl-1-dimethylsilylazetidin-2-one
PubChem CID154225928
Molecular FormulaC9H19NOSi
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-butyl-1-dimethylsilylazetidin-2-one
SMILESCCCCC1CN([SiH](C)C)C1=O
InChIInChI=1S/C9H19NOSi/c1-4-5-6-8-7-10(9(8)11)12(2)3/h8,12H,4-7H2,1-3H3
InChIKeyHMMFPCFSBWRFFP-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 51.62
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-butyl-1-dimethylsilylazetidin-2-one?
The IUPAC name of 3-butyl-1-dimethylsilylazetidin-2-one (CID 154225928) is 3-butyl-1-dimethylsilylazetidin-2-one.
What is the SMILES notation for 3-butyl-1-dimethylsilylazetidin-2-one?
The canonical SMILES for 3-butyl-1-dimethylsilylazetidin-2-one is CCCCC1CN([SiH](C)C)C1=O.
What is the InChIKey of 3-butyl-1-dimethylsilylazetidin-2-one?
The InChIKey is HMMFPCFSBWRFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOSi/c1-4-5-6-8-7-10(9(8)11)12(2)3/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-butyl-1-dimethylsilylazetidin-2-one?
3-butyl-1-dimethylsilylazetidin-2-one has a molecular weight of 185.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-dimethylsilylazetidin-2-one is sourced from PubChem (CID 154225928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).