(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one

C18H23NO3Si — CID 10782603

IUPAC(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESC=C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1C(O)C#C[Si](C)(C)C
InChIInChI=1S/C18H23NO3Si/c1-6-15-17(16(20)11-12-23(3,4)5)19(18(15)21)13-7-9-14(22-2)10-8-13/h6-10,15-17,20H,1H2,2-5H3/t15-,16?,17-/m0/s1
InChIKeyDNKWCEHGEWMWCI-QRFGZVGRSA-N
MW329.47 g/mol
LogP2.45
Rot. Bonds4

About (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one

(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 10782603) has the molecular formula C18H23NO3Si and a molecular weight of 329.47 g/mol. Its IUPAC name is (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID10782603
Molecular FormulaC18H23NO3Si
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESC=C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1C(O)C#C[Si](C)(C)C
InChIInChI=1S/C18H23NO3Si/c1-6-15-17(16(20)11-12-23(3,4)5)19(18(15)21)13-7-9-14(22-2)10-8-13/h6-10,15-17,20H,1H2,2-5H3/t15-,16?,17-/m0/s1
InChIKeyDNKWCEHGEWMWCI-QRFGZVGRSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one (CID 10782603) is (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one is C=C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1C(O)C#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is DNKWCEHGEWMWCI-QRFGZVGRSA-N. The full InChI is InChI=1S/C18H23NO3Si/c1-6-15-17(16(20)11-12-23(3,4)5)19(18(15)21)13-7-9-14(22-2)10-8-13/h6-10,15-17,20H,1H2,2-5H3/t15-,16?,17-/m0/s1.
What are the key properties of (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one?
(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 329.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 10782603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).