4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one

C16H17FN2O2 — CID 146260096

IUPAC4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2(c3ccc(F)cc3)CNCCO2)cc1=O
InChIInChI=1S/C16H17FN2O2/c1-19-8-6-13(10-15(19)20)16(11-18-7-9-21-16)12-2-4-14(17)5-3-12/h2-6,8,10,18H,7,9,11H2,1H3
InChIKeyPMSKXGKIFIXWET-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.39
Rot. Bonds2

About 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one

4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one (PubChem CID 146260096) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one
PubChem CID146260096
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2(c3ccc(F)cc3)CNCCO2)cc1=O
InChIInChI=1S/C16H17FN2O2/c1-19-8-6-13(10-15(19)20)16(11-18-7-9-21-16)12-2-4-14(17)5-3-12/h2-6,8,10,18H,7,9,11H2,1H3
InChIKeyPMSKXGKIFIXWET-UHFFFAOYSA-N
XLogP1.39
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one (CID 146260096) is 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one is Cn1ccc(C2(c3ccc(F)cc3)CNCCO2)cc1=O.
What is the InChIKey of 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one?
The InChIKey is PMSKXGKIFIXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19-8-6-13(10-15(19)20)16(11-18-7-9-21-16)12-2-4-14(17)5-3-12/h2-6,8,10,18H,7,9,11H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one?
4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one has a molecular weight of 288.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)morpholin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 146260096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).