5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one

C10H13FN2O — CID 88982632

IUPAC5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one
SMILESCn1cc(F)cc(C2CCCN2)c1=O
InChIInChI=1S/C10H13FN2O/c1-13-6-7(11)5-8(10(13)14)9-3-2-4-12-9/h5-6,9,12H,2-4H2,1H3
InChIKeyBXBMEIOCPCPPFS-UHFFFAOYSA-N
MW196.22 g/mol
LogP0.95
Rot. Bonds1

About 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one

5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one (PubChem CID 88982632) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one
PubChem CID88982632
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one
SMILESCn1cc(F)cc(C2CCCN2)c1=O
InChIInChI=1S/C10H13FN2O/c1-13-6-7(11)5-8(10(13)14)9-3-2-4-12-9/h5-6,9,12H,2-4H2,1H3
InChIKeyBXBMEIOCPCPPFS-UHFFFAOYSA-N
XLogP0.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one?
The IUPAC name of 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one (CID 88982632) is 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one is Cn1cc(F)cc(C2CCCN2)c1=O.
What is the InChIKey of 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one?
The InChIKey is BXBMEIOCPCPPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13-6-7(11)5-8(10(13)14)9-3-2-4-12-9/h5-6,9,12H,2-4H2,1H3.
What are the key properties of 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one?
5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one has a molecular weight of 196.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-pyrrolidin-2-ylpyridin-2-one is sourced from PubChem (CID 88982632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).