(2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate

C20H19NO4 — CID 2621889

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate
SMILESO=C(OCC(=O)N1CCCC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c22-18(21-12-6-7-13-21)14-25-20(24)17-11-5-4-10-16(17)19(23)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKeyXLCFMDDLGIUKAG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.70
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate (PubChem CID 2621889) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate
PubChem CID2621889
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate
SMILESO=C(OCC(=O)N1CCCC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c22-18(21-12-6-7-13-21)14-25-20(24)17-11-5-4-10-16(17)19(23)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKeyXLCFMDDLGIUKAG-UHFFFAOYSA-N
XLogP2.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.70
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) 2-benzoylbenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate (CID 2621889) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate is O=C(OCC(=O)N1CCCC1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate?
The InChIKey is XLCFMDDLGIUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18(21-12-6-7-13-21)14-25-20(24)17-11-5-4-10-16(17)19(23)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-benzoylbenzoate has a molecular weight of 337.38 g/mol, XLogP of 2.70, 5 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) 2-benzoylbenzoate is sourced from PubChem (CID 2621889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).