1-[tert-butyl(methyl)silyl]azetidin-2-one

C8H17NOSi — CID 151775604

IUPAC1-[tert-butyl(methyl)silyl]azetidin-2-one
SMILESC[SiH](N1CCC1=O)C(C)(C)C
InChIInChI=1S/C8H17NOSi/c1-8(2,3)11(4)9-6-5-7(9)10/h11H,5-6H2,1-4H3
InChIKeyRTNDBBKLTSMKDK-UHFFFAOYSA-N
MW171.32 g/mol
LogP1.37
Rot. Bonds1

About 1-[tert-butyl(methyl)silyl]azetidin-2-one

1-[tert-butyl(methyl)silyl]azetidin-2-one (PubChem CID 151775604) has the molecular formula C8H17NOSi and a molecular weight of 171.32 g/mol. Its IUPAC name is 1-[tert-butyl(methyl)silyl]azetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(methyl)silyl]azetidin-2-one
PubChem CID151775604
Molecular FormulaC8H17NOSi
Molecular Weight171.32 g/mol
Exact Mass171.11
IUPAC Name1-[tert-butyl(methyl)silyl]azetidin-2-one
SMILESC[SiH](N1CCC1=O)C(C)(C)C
InChIInChI=1S/C8H17NOSi/c1-8(2,3)11(4)9-6-5-7(9)10/h11H,5-6H2,1-4H3
InChIKeyRTNDBBKLTSMKDK-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.32
LogP ≤ 51.37
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 1-[tert-butyl(methyl)silyl]azetidin-2-one?
The IUPAC name of 1-[tert-butyl(methyl)silyl]azetidin-2-one (CID 151775604) is 1-[tert-butyl(methyl)silyl]azetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(methyl)silyl]azetidin-2-one?
The canonical SMILES for 1-[tert-butyl(methyl)silyl]azetidin-2-one is C[SiH](N1CCC1=O)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(methyl)silyl]azetidin-2-one?
The InChIKey is RTNDBBKLTSMKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOSi/c1-8(2,3)11(4)9-6-5-7(9)10/h11H,5-6H2,1-4H3.
What are the key properties of 1-[tert-butyl(methyl)silyl]azetidin-2-one?
1-[tert-butyl(methyl)silyl]azetidin-2-one has a molecular weight of 171.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(methyl)silyl]azetidin-2-one is sourced from PubChem (CID 151775604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).