prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate

C15H27NO4Si — CID 173171481

IUPACprop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(=O)C[C@H]1C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C15H27NO4Si/c1-7-8-19-14(18)16-10-11(17)9-12(16)13(15(2,3)4)20-21(5)6/h7,12-13,21H,1,8-10H2,2-6H3/t12-,13?/m0/s1
InChIKeyXJGICMYXCFBXTD-UEWDXFNNSA-N
MW313.47 g/mol
LogP2.37
Rot. Bonds5

About prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate

prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate (PubChem CID 173171481) has the molecular formula C15H27NO4Si and a molecular weight of 313.47 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate
PubChem CID173171481
Molecular FormulaC15H27NO4Si
Molecular Weight313.47 g/mol
Exact Mass313.17
IUPAC Nameprop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(=O)C[C@H]1C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C15H27NO4Si/c1-7-8-19-14(18)16-10-11(17)9-12(16)13(15(2,3)4)20-21(5)6/h7,12-13,21H,1,8-10H2,2-6H3/t12-,13?/m0/s1
InChIKeyXJGICMYXCFBXTD-UEWDXFNNSA-N
XLogP2.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.37
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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Related Compounds

4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
CID 18534717
3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-one
CID 173464738
ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
CID 84820035
methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate
CID 149433135
3-O-tert-butyl 7-O-prop-2-enyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 23569422
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
CID 130250817
(5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 173354061
prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
CID 66069309
prop-2-enyl 3-oxopyrrolidine-1-carboxylate
CID 15117217
prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141053851
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
CID 173344675

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate (CID 173171481) is prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(=O)C[C@H]1C(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate?
The InChIKey is XJGICMYXCFBXTD-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H27NO4Si/c1-7-8-19-14(18)16-10-11(17)9-12(16)13(15(2,3)4)20-21(5)6/h7,12-13,21H,1,8-10H2,2-6H3/t12-,13?/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate?
prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate has a molecular weight of 313.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 173171481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).