(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one

C15H13FN2O3 — CID 86715088

IUPAC(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Oc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C15H13FN2O3/c16-10-1-3-11(4-2-10)21-14-6-5-12(9-18-14)20-13-7-8-17-15(13)19/h1-6,9,13H,7-8H2,(H,17,19)/t13-/m1/s1
InChIKeyCSPLPMBDPQETPK-CYBMUJFWSA-N
MW288.28 g/mol
LogP2.28
Rot. Bonds4

About (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one

(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one (PubChem CID 86715088) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
PubChem CID86715088
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Oc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C15H13FN2O3/c16-10-1-3-11(4-2-10)21-14-6-5-12(9-18-14)20-13-7-8-17-15(13)19/h1-6,9,13H,7-8H2,(H,17,19)/t13-/m1/s1
InChIKeyCSPLPMBDPQETPK-CYBMUJFWSA-N
XLogP2.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one (CID 86715088) is (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one is O=C1NCC[C@H]1Oc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The InChIKey is CSPLPMBDPQETPK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-1-3-11(4-2-10)21-14-6-5-12(9-18-14)20-13-7-8-17-15(13)19/h1-6,9,13H,7-8H2,(H,17,19)/t13-/m1/s1.
What are the key properties of (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one has a molecular weight of 288.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one is sourced from PubChem (CID 86715088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).