prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate

C18H31NO5Si — CID 54265678

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=CC(=O)OC
InChIInChI=1S/C18H31NO5Si/c1-8-11-23-17(21)19-13-15(24-25(6,7)18(2,3)4)12-14(19)9-10-16(20)22-5/h8-10,14-15H,1,11-13H2,2-7H3/t14-,15-/m1/s1
InChIKeyRGOXPQJIKVNXSR-HUUCEWRRSA-N
MW369.53 g/mol
LogP3.50
Rot. Bonds6

About prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate (PubChem CID 54265678) has the molecular formula C18H31NO5Si and a molecular weight of 369.53 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
PubChem CID54265678
Molecular FormulaC18H31NO5Si
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=CC(=O)OC
InChIInChI=1S/C18H31NO5Si/c1-8-11-23-17(21)19-13-15(24-25(6,7)18(2,3)4)12-14(19)9-10-16(20)22-5/h8-10,14-15H,1,11-13H2,2-7H3/t14-,15-/m1/s1
InChIKeyRGOXPQJIKVNXSR-HUUCEWRRSA-N
XLogP3.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate (CID 54265678) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=CC(=O)OC.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
The InChIKey is RGOXPQJIKVNXSR-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H31NO5Si/c1-8-11-23-17(21)19-13-15(24-25(6,7)18(2,3)4)12-14(19)9-10-16(20)22-5/h8-10,14-15H,1,11-13H2,2-7H3/t14-,15-/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate has a molecular weight of 369.53 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 54265678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).