(2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate

C17H20FNO4 — CID 86989801

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate
SMILESO=C(CCCC(=O)c1ccc(F)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C17H20FNO4/c18-14-8-6-13(7-9-14)15(20)4-3-5-17(22)23-12-16(21)19-10-1-2-11-19/h6-9H,1-5,10-12H2
InChIKeyXGTFLYFAAZQQPT-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.34
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate

(2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate (PubChem CID 86989801) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate
PubChem CID86989801
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate
SMILESO=C(CCCC(=O)c1ccc(F)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C17H20FNO4/c18-14-8-6-13(7-9-14)15(20)4-3-5-17(22)23-12-16(21)19-10-1-2-11-19/h6-9H,1-5,10-12H2
InChIKeyXGTFLYFAAZQQPT-UHFFFAOYSA-N
XLogP2.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate (CID 86989801) is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate is O=C(CCCC(=O)c1ccc(F)cc1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate?
The InChIKey is XGTFLYFAAZQQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c18-14-8-6-13(7-9-14)15(20)4-3-5-17(22)23-12-16(21)19-10-1-2-11-19/h6-9H,1-5,10-12H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate has a molecular weight of 321.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(4-fluorophenyl)-5-oxopentanoate is sourced from PubChem (CID 86989801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).