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

C8H11FN2O — CID 82146795

IUPAC1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one
SMILESCC(CN)n1cc(F)ccc1=O
InChIInChI=1S/C8H11FN2O/c1-6(4-10)11-5-7(9)2-3-8(11)12/h2-3,5-6H,4,10H2,1H3
InChIKeyNNHDWTAWPYZTCF-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.51
Rot. Bonds2

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

1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one (PubChem CID 82146795) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one
PubChem CID82146795
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one
SMILESCC(CN)n1cc(F)ccc1=O
InChIInChI=1S/C8H11FN2O/c1-6(4-10)11-5-7(9)2-3-8(11)12/h2-3,5-6H,4,10H2,1H3
InChIKeyNNHDWTAWPYZTCF-UHFFFAOYSA-N
XLogP0.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one (CID 82146795) is 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one is CC(CN)n1cc(F)ccc1=O.
What is the InChIKey of 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one?
The InChIKey is NNHDWTAWPYZTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-6(4-10)11-5-7(9)2-3-8(11)12/h2-3,5-6H,4,10H2,1H3.
What are the key properties of 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one?
1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 82146795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).