5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one

C12H23NO2Si — CID 71282582

IUPAC5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CCCN1C1CCCOC(=O)CC1
InChIInChI=1S/C12H23NO2Si/c1-16(2)10-4-8-13(16)11-5-3-9-15-12(14)7-6-11/h11H,3-10H2,1-2H3
InChIKeyOGTUXHVDHPMCJS-UHFFFAOYSA-N
MW241.41 g/mol
LogP2.38
Rot. Bonds1

About 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one

5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one (PubChem CID 71282582) has the molecular formula C12H23NO2Si and a molecular weight of 241.41 g/mol. Its IUPAC name is 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one
PubChem CID71282582
Molecular FormulaC12H23NO2Si
Molecular Weight241.41 g/mol
Exact Mass241.15
IUPAC Name5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CCCN1C1CCCOC(=O)CC1
InChIInChI=1S/C12H23NO2Si/c1-16(2)10-4-8-13(16)11-5-3-9-15-12(14)7-6-11/h11H,3-10H2,1-2H3
InChIKeyOGTUXHVDHPMCJS-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
The IUPAC name of 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one (CID 71282582) is 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one.
What is the SMILES notation for 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
The canonical SMILES for 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one is C[Si]1(C)CCCN1C1CCCOC(=O)CC1.
What is the InChIKey of 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
The InChIKey is OGTUXHVDHPMCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2Si/c1-16(2)10-4-8-13(16)11-5-3-9-15-12(14)7-6-11/h11H,3-10H2,1-2H3.
What are the key properties of 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one has a molecular weight of 241.41 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one is sourced from PubChem (CID 71282582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).