(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate

C15H19NO4 — CID 2356240

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-19-13-7-5-12(6-8-13)15(18)20-11-14(17)16-9-3-4-10-16/h5-8H,2-4,9-11H2,1H3
InChIKeyDEWRRCRCEPKSED-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.86
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate (PubChem CID 2356240) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate
PubChem CID2356240
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-19-13-7-5-12(6-8-13)15(18)20-11-14(17)16-9-3-4-10-16/h5-8H,2-4,9-11H2,1H3
InChIKeyDEWRRCRCEPKSED-UHFFFAOYSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.86
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) 4-ethoxybenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate (CID 2356240) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate?
The InChIKey is DEWRRCRCEPKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-13-7-5-12(6-8-13)15(18)20-11-14(17)16-9-3-4-10-16/h5-8H,2-4,9-11H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate has a molecular weight of 277.32 g/mol, XLogP of 1.86, 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) 4-ethoxybenzoate is sourced from PubChem (CID 2356240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).