ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate

C17H22FNO3 — CID 19822479

IUPACethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1C(C)C(CC)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-4-14-11(3)15(17(21)22-5-2)19(16(14)20)10-12-6-8-13(18)9-7-12/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyUYENBQGLCQQGOT-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.76
Rot. Bonds5

About ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate

ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 19822479) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID19822479
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Nameethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1C(C)C(CC)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-4-14-11(3)15(17(21)22-5-2)19(16(14)20)10-12-6-8-13(18)9-7-12/h6-9,11,14-15H,4-5,10H2,1-3H3
InChIKeyUYENBQGLCQQGOT-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate (CID 19822479) is ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1C(C)C(CC)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is UYENBQGLCQQGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-4-14-11(3)15(17(21)22-5-2)19(16(14)20)10-12-6-8-13(18)9-7-12/h6-9,11,14-15H,4-5,10H2,1-3H3.
What are the key properties of ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate?
ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-1-[(4-fluorophenyl)methyl]-3-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 19822479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).