1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one

C24H31NO3Si — CID 11538778

IUPAC1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one
SMILESC=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CCC1O
InChIInChI=1S/C24H31NO3Si/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/h5-15,19,22,26H,1,16-18H2,2-4H3/t19-,22?/m1/s1
InChIKeyXRGAXIAOJAHPPN-LCQOSCCDSA-N
MW409.60 g/mol
LogP3.06
Rot. Bonds7

About 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one

1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one (PubChem CID 11538778) has the molecular formula C24H31NO3Si and a molecular weight of 409.60 g/mol. Its IUPAC name is 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one
PubChem CID11538778
Molecular FormulaC24H31NO3Si
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Name1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one
SMILESC=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CCC1O
InChIInChI=1S/C24H31NO3Si/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/h5-15,19,22,26H,1,16-18H2,2-4H3/t19-,22?/m1/s1
InChIKeyXRGAXIAOJAHPPN-LCQOSCCDSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]pyrrolidine-2,5-dione
CID 11668645
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
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxybutanamide
CID 69025615
(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
(4S)-1-[tert-butyl(diphenyl)silyl]-4-(hydroxymethyl)azetidin-2-one
CID 123181758
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 141299498
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 141301360
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one
CID 154332211
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one
CID 154364964
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 175419153

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one (CID 11538778) is 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one is C=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)CCC1O.
What is the InChIKey of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one?
The InChIKey is XRGAXIAOJAHPPN-LCQOSCCDSA-N. The full InChI is InChI=1S/C24H31NO3Si/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/h5-15,19,22,26H,1,16-18H2,2-4H3/t19-,22?/m1/s1.
What are the key properties of 1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one?
1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-hydroxypyrrolidin-2-one has a molecular weight of 409.60 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 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]-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 11538778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).