(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one

C21H25NOSi — CID 10806744

IUPAC(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESC[C@@H]([C@H]1C(=O)N[C@H]1/C=C/c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H25NOSi/c1-16(24(2,3)18-12-8-5-9-13-18)20-19(22-21(20)23)15-14-17-10-6-4-7-11-17/h4-16,19-20H,1-3H3,(H,22,23)/b15-14+/t16-,19-,20+/m0/s1
InChIKeyWXPFJYXVRYDIOP-HMTHPHKNSA-N
MW335.52 g/mol
LogP3.82
Rot. Bonds5

About (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one

(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 10806744) has the molecular formula C21H25NOSi and a molecular weight of 335.52 g/mol. Its IUPAC name is (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID10806744
Molecular FormulaC21H25NOSi
Molecular Weight335.52 g/mol
Exact Mass335.17
IUPAC Name(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESC[C@@H]([C@H]1C(=O)N[C@H]1/C=C/c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H25NOSi/c1-16(24(2,3)18-12-8-5-9-13-18)20-19(22-21(20)23)15-14-17-10-6-4-7-11-17/h4-16,19-20H,1-3H3,(H,22,23)/b15-14+/t16-,19-,20+/m0/s1
InChIKeyWXPFJYXVRYDIOP-HMTHPHKNSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 10806744) is (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one is C[C@@H]([C@H]1C(=O)N[C@H]1/C=C/c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is WXPFJYXVRYDIOP-HMTHPHKNSA-N. The full InChI is InChI=1S/C21H25NOSi/c1-16(24(2,3)18-12-8-5-9-13-18)20-19(22-21(20)23)15-14-17-10-6-4-7-11-17/h4-16,19-20H,1-3H3,(H,22,23)/b15-14+/t16-,19-,20+/m0/s1.
What are the key properties of (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 335.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 10806744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).