1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione

C24H29NO3Si — CID 11668645

IUPAC1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione
SMILESC=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CCC1=O
InChIInChI=1S/C24H29NO3Si/c1-5-19(25-22(26)16-17-23(25)27)18-28-29(24(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h5-15,19H,1,16-18H2,2-4H3/t19-/m1/s1
InChIKeyCNZOPNIODKURRV-LJQANCHMSA-N
MW407.59 g/mol
LogP3.27
Rot. Bonds7

About 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione

1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione (PubChem CID 11668645) has the molecular formula C24H29NO3Si and a molecular weight of 407.59 g/mol. Its IUPAC name is 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione
PubChem CID11668645
Molecular FormulaC24H29NO3Si
Molecular Weight407.59 g/mol
Exact Mass407.19
IUPAC Name1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione
SMILESC=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CCC1=O
InChIInChI=1S/C24H29NO3Si/c1-5-19(25-22(26)16-17-23(25)27)18-28-29(24(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h5-15,19H,1,16-18H2,2-4H3/t19-/m1/s1
InChIKeyCNZOPNIODKURRV-LJQANCHMSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one
CID 11538778
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 15483164
1-[1-[Tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one
CID 18318463
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one
CID 67947022
(S)-2-(2-oxopyrrolidin-1-yl)propyl tert-butyldiphenylsilyl ether
CID 69946440
1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]pyrrolidin-2-one
CID 69948287
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 141299498
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one
CID 154364964
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692281
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
1-[3-[Diphenylsilyl(methyl)amino]propyl]pyrrolidine-2,5-dione
CID 173055110

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione (CID 11668645) is 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione is C=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione?
The InChIKey is CNZOPNIODKURRV-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29NO3Si/c1-5-19(25-22(26)16-17-23(25)27)18-28-29(24(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h5-15,19H,1,16-18H2,2-4H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione?
1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione has a molecular weight of 407.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11668645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).