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

C14H16FNO3 — CID 105360222

IUPACethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c1-3-19-13(18)12-14(2,8-11(17)16-12)9-4-6-10(15)7-5-9/h4-7,12H,3,8H2,1-2H3,(H,16,17)
InChIKeySUTNLNZDZDKVJD-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.53
Rot. Bonds3

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

ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 105360222) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID105360222
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Nameethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)CC1(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c1-3-19-13(18)12-14(2,8-11(17)16-12)9-4-6-10(15)7-5-9/h4-7,12H,3,8H2,1-2H3,(H,16,17)
InChIKeySUTNLNZDZDKVJD-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate (CID 105360222) is ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1NC(=O)CC1(C)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is SUTNLNZDZDKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-3-19-13(18)12-14(2,8-11(17)16-12)9-4-6-10(15)7-5-9/h4-7,12H,3,8H2,1-2H3,(H,16,17).
What are the key properties of ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate?
ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 265.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 105360222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).