1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one

C14H27NO3Si — CID 90164514

IUPAC1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C\C(O)N1CCCC1=O
InChIInChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-11-7-9-13(17)15-10-6-8-12(15)16/h7,9,13,17H,6,8,10-11H2,1-5H3/b9-7-
InChIKeyKFPINXPXYUBVQU-CLFYSBASSA-N
MW285.46 g/mol
LogP2.51
Rot. Bonds5

About 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one

1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one (PubChem CID 90164514) has the molecular formula C14H27NO3Si and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one
PubChem CID90164514
Molecular FormulaC14H27NO3Si
Molecular Weight285.46 g/mol
Exact Mass285.18
IUPAC Name1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C\C(O)N1CCCC1=O
InChIInChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-11-7-9-13(17)15-10-6-8-12(15)16/h7,9,13,17H,6,8,10-11H2,1-5H3/b9-7-
InChIKeyKFPINXPXYUBVQU-CLFYSBASSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one (CID 90164514) is 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC/C=C\C(O)N1CCCC1=O.
What is the InChIKey of 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one?
The InChIKey is KFPINXPXYUBVQU-CLFYSBASSA-N. The full InChI is InChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-11-7-9-13(17)15-10-6-8-12(15)16/h7,9,13,17H,6,8,10-11H2,1-5H3/b9-7-.
What are the key properties of 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one?
1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one has a molecular weight of 285.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 90164514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).