1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one

C15H27NOSi — CID 134963756

IUPAC1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one
SMILESCC(C)[Si](C#CN1CCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H27NOSi/c1-12(2)18(13(3)4,14(5)6)11-10-16-9-7-8-15(16)17/h12-14H,7-9H2,1-6H3
InChIKeyAKWLJXGLCPROIY-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.79
Rot. Bonds3

About 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one

1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one (PubChem CID 134963756) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one
PubChem CID134963756
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one
SMILESCC(C)[Si](C#CN1CCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H27NOSi/c1-12(2)18(13(3)4,14(5)6)11-10-16-9-7-8-15(16)17/h12-14H,7-9H2,1-6H3
InChIKeyAKWLJXGLCPROIY-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one (CID 134963756) is 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one is CC(C)[Si](C#CN1CCCC1=O)(C(C)C)C(C)C.
What is the InChIKey of 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one?
The InChIKey is AKWLJXGLCPROIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-12(2)18(13(3)4,14(5)6)11-10-16-9-7-8-15(16)17/h12-14H,7-9H2,1-6H3.
What are the key properties of 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one?
1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one has a molecular weight of 265.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tri(propan-2-yl)silylethynyl]pyrrolidin-2-one is sourced from PubChem (CID 134963756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).