3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one

C14H21FN2O — CID 68909938

IUPAC3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one
SMILESCn1cc(F)cc(C2CCCN2C(C)(C)C)c1=O
InChIInChI=1S/C14H21FN2O/c1-14(2,3)17-7-5-6-12(17)11-8-10(15)9-16(4)13(11)18/h8-9,12H,5-7H2,1-4H3
InChIKeyONSNKPQXLAXHCY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds1

About 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one

3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one (PubChem CID 68909938) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one
PubChem CID68909938
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one
SMILESCn1cc(F)cc(C2CCCN2C(C)(C)C)c1=O
InChIInChI=1S/C14H21FN2O/c1-14(2,3)17-7-5-6-12(17)11-8-10(15)9-16(4)13(11)18/h8-9,12H,5-7H2,1-4H3
InChIKeyONSNKPQXLAXHCY-UHFFFAOYSA-N
XLogP2.46
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one?
The IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one (CID 68909938) is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one is Cn1cc(F)cc(C2CCCN2C(C)(C)C)c1=O.
What is the InChIKey of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one?
The InChIKey is ONSNKPQXLAXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-14(2,3)17-7-5-6-12(17)11-8-10(15)9-16(4)13(11)18/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one?
3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one has a molecular weight of 252.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 68909938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).