(3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one

C19H25NO3Si — CID 10736177

IUPAC(3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
SMILESC=CC[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1C(O)C#C[Si](C)(C)C
InChIInChI=1S/C19H25NO3Si/c1-6-7-16-18(17(21)12-13-24(3,4)5)20(19(16)22)14-8-10-15(23-2)11-9-14/h6,8-11,16-18,21H,1,7H2,2-5H3/t16-,17?,18-/m0/s1
InChIKeyWODMKFHBNPNJQS-RGBJRUIASA-N
MW343.50 g/mol
LogP2.84
Rot. Bonds5

About (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one

(3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one (PubChem CID 10736177) has the molecular formula C19H25NO3Si and a molecular weight of 343.50 g/mol. Its IUPAC name is (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
PubChem CID10736177
Molecular FormulaC19H25NO3Si
Molecular Weight343.50 g/mol
Exact Mass343.16
IUPAC Name(3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
SMILESC=CC[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1C(O)C#C[Si](C)(C)C
InChIInChI=1S/C19H25NO3Si/c1-6-7-16-18(17(21)12-13-24(3,4)5)20(19(16)22)14-8-10-15(23-2)11-9-14/h6,8-11,16-18,21H,1,7H2,2-5H3/t16-,17?,18-/m0/s1
InChIKeyWODMKFHBNPNJQS-RGBJRUIASA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.84
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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Related Compounds

(3S,4S)-3-ethenyl-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 10758748
(3S,4S)-3-ethenyl-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 10782603
(3R)-4-[(1E)-buta-1,3-dienyl]-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 100932719
(3S,4S)-4-[(1R)-1-hydroxy-2-methylbuta-2,3-dienyl]-1-(4-methoxyphenyl)-3-prop-2-ynylazetidin-2-one
CID 102277813
1-[(2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-propan-2-ylazetidin-2-yl]but-3-enyl methanesulfonate
CID 54062989
(3R,4S)-4-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 10042688
3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
CID 24769802
4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 68943315
(2S)-2-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-2-(prop-2-enylamino)acetonitrile
CID 102308783
[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
CID 24866923
prop-2-enyl (2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 11732541
(3R,4R)-4-(diethoxymethyl)-3-[(1S)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14207077

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one?
The IUPAC name of (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one (CID 10736177) is (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one?
The canonical SMILES for (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one is C=CC[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)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one?
The InChIKey is WODMKFHBNPNJQS-RGBJRUIASA-N. The full InChI is InChI=1S/C19H25NO3Si/c1-6-7-16-18(17(21)12-13-24(3,4)5)20(19(16)22)14-8-10-15(23-2)11-9-14/h6,8-11,16-18,21H,1,7H2,2-5H3/t16-,17?,18-/m0/s1.
What are the key properties of (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one?
(3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one has a molecular weight of 343.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one is sourced from PubChem (CID 10736177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).