1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one

C9H13FN2O — CID 82504113

IUPAC1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one
SMILESCCC(CN)n1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-2-8(5-11)12-6-7(10)3-4-9(12)13/h3-4,6,8H,2,5,11H2,1H3
InChIKeyQOYGTQLOTAHGBL-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.90
Rot. Bonds3

About 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one

1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one (PubChem CID 82504113) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one
PubChem CID82504113
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one
SMILESCCC(CN)n1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-2-8(5-11)12-6-7(10)3-4-9(12)13/h3-4,6,8H,2,5,11H2,1H3
InChIKeyQOYGTQLOTAHGBL-UHFFFAOYSA-N
XLogP0.90
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one?
The IUPAC name of 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one (CID 82504113) is 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one is CCC(CN)n1cc(F)ccc1=O.
What is the InChIKey of 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one?
The InChIKey is QOYGTQLOTAHGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-2-8(5-11)12-6-7(10)3-4-9(12)13/h3-4,6,8H,2,5,11H2,1H3.
What are the key properties of 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one?
1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one has a molecular weight of 184.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutan-2-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 82504113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).