prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

C18H32N2O3Si — CID 10893562

IUPACprop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](C#N)C[C@H]1CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C18H32N2O3Si/c1-8-9-22-17(21)20-12-15(11-19)10-16(20)13-23-24(6,7)18(4,5)14(2)3/h8,14-16H,1,9-10,12-13H2,2-7H3/t15-,16-/m0/s1
InChIKeyWSOZRBYACKBOJJ-HOTGVXAUSA-N
MW352.55 g/mol
LogP4.18
Rot. Bonds7

About prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 10893562) has the molecular formula C18H32N2O3Si and a molecular weight of 352.55 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID10893562
Molecular FormulaC18H32N2O3Si
Molecular Weight352.55 g/mol
Exact Mass352.22
IUPAC Nameprop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](C#N)C[C@H]1CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C18H32N2O3Si/c1-8-9-22-17(21)20-12-15(11-19)10-16(20)13-23-24(6,7)18(4,5)14(2)3/h8,14-16H,1,9-10,12-13H2,2-7H3/t15-,16-/m0/s1
InChIKeyWSOZRBYACKBOJJ-HOTGVXAUSA-N
XLogP4.18
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (CID 10893562) is prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](C#N)C[C@H]1CO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is WSOZRBYACKBOJJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H32N2O3Si/c1-8-9-22-17(21)20-12-15(11-19)10-16(20)13-23-24(6,7)18(4,5)14(2)3/h8,14-16H,1,9-10,12-13H2,2-7H3/t15-,16-/m0/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 352.55 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-cyano-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10893562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).