prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate

C15H25NO3Si — CID 100995807

IUPACprop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C(O)CC[C@H]1CC#CC[Si](C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-5-11-19-15(18)16-13(9-10-14(16)17)8-6-7-12-20(2,3)4/h5,13-14,17H,1,8-12H2,2-4H3/t13-,14?/m1/s1
InChIKeyOUSLAMPYCDEPON-KWCCSABGSA-N
MW295.46 g/mol
LogP2.82
Rot. Bonds4

About prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate

prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate (PubChem CID 100995807) has the molecular formula C15H25NO3Si and a molecular weight of 295.46 g/mol. Its IUPAC name is prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate
PubChem CID100995807
Molecular FormulaC15H25NO3Si
Molecular Weight295.46 g/mol
Exact Mass295.16
IUPAC Nameprop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C(O)CC[C@H]1CC#CC[Si](C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-5-11-19-15(18)16-13(9-10-14(16)17)8-6-7-12-20(2,3)4/h5,13-14,17H,1,8-12H2,2-4H3/t13-,14?/m1/s1
InChIKeyOUSLAMPYCDEPON-KWCCSABGSA-N
XLogP2.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.82
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

prop-2-enyl (1R,5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 167722616
(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 167714721
4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
prop-2-enyl 7-hydroxy-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 163217035
prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153289748
prop-2-enyl 5-oxo-1-trimethylsilylpyrrolidine-2-carboxylate
CID 14038136
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate
CID 54057799
2-O-ethyl 1-O-prop-2-enyl 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate
CID 23074782
prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
CID 66069309

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate (CID 100995807) is prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C(O)CC[C@H]1CC#CC[Si](C)(C)C.
What is the InChIKey of prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate?
The InChIKey is OUSLAMPYCDEPON-KWCCSABGSA-N. The full InChI is InChI=1S/C15H25NO3Si/c1-5-11-19-15(18)16-13(9-10-14(16)17)8-6-7-12-20(2,3)4/h5,13-14,17H,1,8-12H2,2-4H3/t13-,14?/m1/s1.
What are the key properties of prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate?
prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate has a molecular weight of 295.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (5S)-2-hydroxy-5-(4-trimethylsilylbut-2-ynyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 100995807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).