(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one

C17H28N2O2Si — CID 20638691

IUPAC(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N[C@H]1c1ccncc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28N2O2Si/c1-11(2)22(12(3)4,13(5)6)21-16-15(19-17(16)20)14-7-9-18-10-8-14/h7-13,15-16H,1-6H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyWRXIAPRHOWZGIA-JKSUJKDBSA-N
MW320.51 g/mol
LogP3.81
Rot. Bonds6

About (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 20638691) has the molecular formula C17H28N2O2Si and a molecular weight of 320.51 g/mol. Its IUPAC name is (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID20638691
Molecular FormulaC17H28N2O2Si
Molecular Weight320.51 g/mol
Exact Mass320.19
IUPAC Name(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N[C@H]1c1ccncc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28N2O2Si/c1-11(2)22(12(3)4,13(5)6)21-16-15(19-17(16)20)14-7-9-18-10-8-14/h7-13,15-16H,1-6H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyWRXIAPRHOWZGIA-JKSUJKDBSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1-(4-methoxyphenyl)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57103539
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one
CID 130754471
5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
CID 86703131
methyl (2S,3R)-2-(4-hydroxyphenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
CID 57297996
cis-(2R,4R)-2-[(1S)-1-hydroxyethyl]-4-pyridin-4-ylcyclohexan-1-one
CID 129407996
4-(4-propan-2-ylcyclohexyl)pyridine
CID 140629091
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
4-phenyl-3-(2-phenylethoxy)azetidin-2-one
CID 22073347
3-(1-pyridin-4-ylethylamino)piperidin-2-one
CID 62094103
1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 90179114
2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid
CID 71650913

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 20638691) is (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](O[C@H]1C(=O)N[C@H]1c1ccncc1)(C(C)C)C(C)C.
What is the InChIKey of (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is WRXIAPRHOWZGIA-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H28N2O2Si/c1-11(2)22(12(3)4,13(5)6)21-16-15(19-17(16)20)14-7-9-18-10-8-14/h7-13,15-16H,1-6H3,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 320.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 20638691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).