[(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate

C13H14FNO3 — CID 16671876

IUPAC[(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](c2ccc(F)cc2)N(C)C1=O
InChIInChI=1S/C13H14FNO3/c1-8(16)18-12-7-11(15(2)13(12)17)9-3-5-10(14)6-4-9/h3-6,11-12H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyJHUNYGUZUFNSNA-VXGBXAGGSA-N
MW251.26 g/mol
LogP1.66
Rot. Bonds2

About [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate

[(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate (PubChem CID 16671876) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate
PubChem CID16671876
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name[(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](c2ccc(F)cc2)N(C)C1=O
InChIInChI=1S/C13H14FNO3/c1-8(16)18-12-7-11(15(2)13(12)17)9-3-5-10(14)6-4-9/h3-6,11-12H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyJHUNYGUZUFNSNA-VXGBXAGGSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate (CID 16671876) is [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate is CC(=O)O[C@@H]1C[C@H](c2ccc(F)cc2)N(C)C1=O.
What is the InChIKey of [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
The InChIKey is JHUNYGUZUFNSNA-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-8(16)18-12-7-11(15(2)13(12)17)9-3-5-10(14)6-4-9/h3-6,11-12H,7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate?
[(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate has a molecular weight of 251.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 16671876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).