(4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one

C13H25NO2Si — CID 71285535

IUPAC(4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one
SMILESC[Si]1(C)CCCN1[C@@H]1CCCCCOC(=O)C1
InChIInChI=1S/C13H25NO2Si/c1-17(2)10-6-8-14(17)12-7-4-3-5-9-16-13(15)11-12/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyFQDXDKRFGOVBMQ-GFCCVEGCSA-N
MW255.43 g/mol
LogP2.77
Rot. Bonds1

About (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one

(4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one (PubChem CID 71285535) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one.

Molecular Properties

Compound Name(4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one
PubChem CID71285535
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name(4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one
SMILESC[Si]1(C)CCCN1[C@@H]1CCCCCOC(=O)C1
InChIInChI=1S/C13H25NO2Si/c1-17(2)10-6-8-14(17)12-7-4-3-5-9-16-13(15)11-12/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyFQDXDKRFGOVBMQ-GFCCVEGCSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.77
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 (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one?
The IUPAC name of (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one (CID 71285535) is (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one.
What is the SMILES notation for (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one?
The canonical SMILES for (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one is C[Si]1(C)CCCN1[C@@H]1CCCCCOC(=O)C1.
What is the InChIKey of (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one?
The InChIKey is FQDXDKRFGOVBMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-17(2)10-6-8-14(17)12-7-4-3-5-9-16-13(15)11-12/h12H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one?
(4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one has a molecular weight of 255.43 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2-dimethylazasilolidin-1-yl)oxonan-2-one is sourced from PubChem (CID 71285535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).