[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate

C13H14FNO3 — CID 174592654

IUPAC[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)OC1(C)CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H14FNO3/c1-9(16)18-13(2)7-8-15(12(13)17)11-5-3-10(14)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyDCLVLORVADPMCQ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.88
Rot. Bonds2

About [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate

[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate (PubChem CID 174592654) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
PubChem CID174592654
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)OC1(C)CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H14FNO3/c1-9(16)18-13(2)7-8-15(12(13)17)11-5-3-10(14)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyDCLVLORVADPMCQ-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate?
The IUPAC name of [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate (CID 174592654) is [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate?
The canonical SMILES for [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate is CC(=O)OC1(C)CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate?
The InChIKey is DCLVLORVADPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-9(16)18-13(2)7-8-15(12(13)17)11-5-3-10(14)4-6-11/h3-6H,7-8H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate?
[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate has a molecular weight of 251.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 174592654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).