prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate

C19H32ClNO5Si — CID 173349448

IUPACprop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@@]1(C=C(Cl)C(=O)OCC)O[SiH](C)C
InChIInChI=1S/C19H32ClNO5Si/c1-8-10-25-17(23)21-13-14(18(3,4)5)11-19(21,26-27(6)7)12-15(20)16(22)24-9-2/h8,12,14,27H,1,9-11,13H2,2-7H3/t14-,19-/m0/s1
InChIKeyVNOQXKYPXSKRGR-LIRRHRJNSA-N
MW418.01 g/mol
LogP4.06
Rot. Bonds7

About prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 173349448) has the molecular formula C19H32ClNO5Si and a molecular weight of 418.01 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID173349448
Molecular FormulaC19H32ClNO5Si
Molecular Weight418.01 g/mol
Exact Mass417.17
IUPAC Nameprop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@@]1(C=C(Cl)C(=O)OCC)O[SiH](C)C
InChIInChI=1S/C19H32ClNO5Si/c1-8-10-25-17(23)21-13-14(18(3,4)5)11-19(21,26-27(6)7)12-15(20)16(22)24-9-2/h8,12,14,27H,1,9-11,13H2,2-7H3/t14-,19-/m0/s1
InChIKeyVNOQXKYPXSKRGR-LIRRHRJNSA-N
XLogP4.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.01
LogP ≤ 54.06
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'}

Analyze prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348366
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348591
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate
CID 173348292
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
CID 173324867
prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxylate
CID 173325459
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
2-O-ethyl 1-O-prop-2-enyl 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate
CID 23074782
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388211
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 57199298
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
ethyl (Z)-2-chloro-4,4-dimethylpent-2-enoate
CID 145266780

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate (CID 173349448) is prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@@]1(C=C(Cl)C(=O)OCC)O[SiH](C)C.
What is the InChIKey of prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is VNOQXKYPXSKRGR-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H32ClNO5Si/c1-8-10-25-17(23)21-13-14(18(3,4)5)11-19(21,26-27(6)7)12-15(20)16(22)24-9-2/h8,12,14,27H,1,9-11,13H2,2-7H3/t14-,19-/m0/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 418.01 g/mol, XLogP of 4.06, 7 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-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 173349448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).