ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

C14H17NO3 — CID 12600472

IUPACethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(c2ccccc2)CC1=O
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)10-15-9-12(8-13(15)16)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyGLCIFTVZMWHJBE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (PubChem CID 12600472) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
PubChem CID12600472
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(c2ccccc2)CC1=O
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)10-15-9-12(8-13(15)16)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyGLCIFTVZMWHJBE-UHFFFAOYSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (CID 12600472) is ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is CCOC(=O)CN1CC(c2ccccc2)CC1=O.
What is the InChIKey of ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The InChIKey is GLCIFTVZMWHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-14(17)10-15-9-12(8-13(15)16)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate has a molecular weight of 247.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 12600472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).