trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate

C18H25NO4Si — CID 86069855

IUPACtrimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate
SMILESCCC(C(=O)c1ccc(C(=O)O[Si](C)(C)C)cc1)N1CCCC1=O
InChIInChI=1S/C18H25NO4Si/c1-5-15(19-12-6-7-16(19)20)17(21)13-8-10-14(11-9-13)18(22)23-24(2,3)4/h8-11,15H,5-7,12H2,1-4H3
InChIKeyOPWTYDXWQFENCU-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.26
Rot. Bonds6

About trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate

trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate (PubChem CID 86069855) has the molecular formula C18H25NO4Si and a molecular weight of 347.49 g/mol. Its IUPAC name is trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate
PubChem CID86069855
Molecular FormulaC18H25NO4Si
Molecular Weight347.49 g/mol
Exact Mass347.16
IUPAC Nametrimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate
SMILESCCC(C(=O)c1ccc(C(=O)O[Si](C)(C)C)cc1)N1CCCC1=O
InChIInChI=1S/C18H25NO4Si/c1-5-15(19-12-6-7-16(19)20)17(21)13-8-10-14(11-9-13)18(22)23-24(2,3)4/h8-11,15H,5-7,12H2,1-4H3
InChIKeyOPWTYDXWQFENCU-UHFFFAOYSA-N
XLogP3.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one
CID 143257473
1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one
CID 143257436
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
trimethylsilyl 4-(2-pyrrolidin-1-yl-1-trimethylsilyloxybutyl)benzoate
CID 91704994
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826
(2R)-N-ethyl-N-(furan-3-ylmethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95906381
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71991480

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate?
The IUPAC name of trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate (CID 86069855) is trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate.
What is the SMILES notation for trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate?
The canonical SMILES for trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate is CCC(C(=O)c1ccc(C(=O)O[Si](C)(C)C)cc1)N1CCCC1=O.
What is the InChIKey of trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate?
The InChIKey is OPWTYDXWQFENCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4Si/c1-5-15(19-12-6-7-16(19)20)17(21)13-8-10-14(11-9-13)18(22)23-24(2,3)4/h8-11,15H,5-7,12H2,1-4H3.
What are the key properties of trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate?
trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate has a molecular weight of 347.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[2-(2-oxopyrrolidin-1-yl)butanoyl]benzoate is sourced from PubChem (CID 86069855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).