(5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one

C17H29NO2Si — CID 102021469

IUPAC(5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1C(=O)CC[C@H]1C(CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-8-10-15(20-21(6,7)17(3,4)5)14-11-12-16(19)18(14)13-9-2/h2,8,14-15H,1,10-13H2,3-7H3/t14-,15?/m0/s1
InChIKeyWUENNHOURDHFBD-MLCCFXAWSA-N
MW307.51 g/mol
LogP3.58
Rot. Bonds6

About (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one

(5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one (PubChem CID 102021469) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one
PubChem CID102021469
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name(5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1C(=O)CC[C@H]1C(CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-8-10-15(20-21(6,7)17(3,4)5)14-11-12-16(19)18(14)13-9-2/h2,8,14-15H,1,10-13H2,3-7H3/t14-,15?/m0/s1
InChIKeyWUENNHOURDHFBD-MLCCFXAWSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 75045772
(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 91595253
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynyl-1-prop-2-ynylazetidin-2-one
CID 102414596
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
tert-butyl (1R,4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 101391159
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-phenylethynyl)-1-prop-2-ynylazetidin-2-one
CID 102414598
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidine-2,6-dione
CID 46844725
(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
CID 134872444
1-[(2R,4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11553013
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
CID 50915307
1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 10449657

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one?
The IUPAC name of (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one (CID 102021469) is (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one is C#CCN1C(=O)CC[C@H]1C(CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one?
The InChIKey is WUENNHOURDHFBD-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-8-10-15(20-21(6,7)17(3,4)5)14-11-12-16(19)18(14)13-9-2/h2,8,14-15H,1,10-13H2,3-7H3/t14-,15?/m0/s1.
What are the key properties of (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one?
(5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one has a molecular weight of 307.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-1-prop-2-ynylpyrrolidin-2-one is sourced from PubChem (CID 102021469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).