3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one

C12H23NO2Si — CID 71282581

IUPAC3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CCCN1C1CCCCCOC1=O
InChIInChI=1S/C12H23NO2Si/c1-16(2)10-6-8-13(16)11-7-4-3-5-9-15-12(11)14/h11H,3-10H2,1-2H3
InChIKeyTXMGUINNKKIODP-UHFFFAOYSA-N
MW241.41 g/mol
LogP2.38
Rot. Bonds1

About 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one

3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one (PubChem CID 71282581) has the molecular formula C12H23NO2Si and a molecular weight of 241.41 g/mol. Its IUPAC name is 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one
PubChem CID71282581
Molecular FormulaC12H23NO2Si
Molecular Weight241.41 g/mol
Exact Mass241.15
IUPAC Name3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one
SMILESC[Si]1(C)CCCN1C1CCCCCOC1=O
InChIInChI=1S/C12H23NO2Si/c1-16(2)10-6-8-13(16)11-7-4-3-5-9-15-12(11)14/h11H,3-10H2,1-2H3
InChIKeyTXMGUINNKKIODP-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 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
The IUPAC name of 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one (CID 71282581) is 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one.
What is the SMILES notation for 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
The canonical SMILES for 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one is C[Si]1(C)CCCN1C1CCCCCOC1=O.
What is the InChIKey of 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
The InChIKey is TXMGUINNKKIODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2Si/c1-16(2)10-6-8-13(16)11-7-4-3-5-9-15-12(11)14/h11H,3-10H2,1-2H3.
What are the key properties of 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one?
3-(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 3-(2,2-dimethylazasilolidin-1-yl)oxocan-2-one is sourced from PubChem (CID 71282581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).