3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one

C11H15FN2O — CID 68992846

IUPAC3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
SMILESCCN1CCCC1c1cc(F)c[nH]c1=O
InChIInChI=1S/C11H15FN2O/c1-2-14-5-3-4-10(14)9-6-8(12)7-13-11(9)15/h6-7,10H,2-5H2,1H3,(H,13,15)
InChIKeyINJRAWRZFTZSGJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.67
Rot. Bonds2

About 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one

3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one (PubChem CID 68992846) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
PubChem CID68992846
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one
SMILESCCN1CCCC1c1cc(F)c[nH]c1=O
InChIInChI=1S/C11H15FN2O/c1-2-14-5-3-4-10(14)9-6-8(12)7-13-11(9)15/h6-7,10H,2-5H2,1H3,(H,13,15)
InChIKeyINJRAWRZFTZSGJ-UHFFFAOYSA-N
XLogP1.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one (CID 68992846) is 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one is CCN1CCCC1c1cc(F)c[nH]c1=O.
What is the InChIKey of 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is INJRAWRZFTZSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-14-5-3-4-10(14)9-6-8(12)7-13-11(9)15/h6-7,10H,2-5H2,1H3,(H,13,15).
What are the key properties of 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one?
3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 210.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-2-yl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 68992846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).