ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate

C15H19NO3 — CID 105360333

IUPACethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1ccc(CC)cc1
InChIInChI=1S/C15H19NO3/c1-3-10-5-7-11(8-6-10)12-9-13(17)16-14(12)15(18)19-4-2/h5-8,12,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyUTXBSGVBDSDIOX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

About ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate

ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 105360333) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID105360333
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1c1ccc(CC)cc1
InChIInChI=1S/C15H19NO3/c1-3-10-5-7-11(8-6-10)12-9-13(17)16-14(12)15(18)19-4-2/h5-8,12,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyUTXBSGVBDSDIOX-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
ethyl 3-[3-(methoxymethyl)phenyl]-5-oxopyrrolidine-2-carboxylate
CID 105360312
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
CID 105360281
ethyl (3S,4R)-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
CID 11391819
ethyl (2S)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylate;hydrobromide
CID 69351683
ethyl 4-[(4-ethylphenyl)-hydroxymethylidene]-3,5-dioxocyclohexane-1-carboxylate
CID 15615704
ethyl (1R,6S)-6-(4-ethylphenyl)-2-oxo-4-thiophen-3-ylcyclohex-3-ene-1-carboxylate
CID 99798640

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate (CID 105360333) is ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1c1ccc(CC)cc1.
What is the InChIKey of ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is UTXBSGVBDSDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-10-5-7-11(8-6-10)12-9-13(17)16-14(12)15(18)19-4-2/h5-8,12,14H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate?
ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 105360333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).