1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one

C9H13FN2O — CID 82146938

IUPAC1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one
SMILESCC(C)(N)Cn1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-9(2,11)6-12-5-7(10)3-4-8(12)13/h3-5H,6,11H2,1-2H3
InChIKeyGYVMLIXHPQSVJL-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one

1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one (PubChem CID 82146938) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one
PubChem CID82146938
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one
SMILESCC(C)(N)Cn1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-9(2,11)6-12-5-7(10)3-4-8(12)13/h3-5H,6,11H2,1-2H3
InChIKeyGYVMLIXHPQSVJL-UHFFFAOYSA-N
XLogP0.72
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one (CID 82146938) is 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one is CC(C)(N)Cn1cc(F)ccc1=O.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one?
The InChIKey is GYVMLIXHPQSVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(2,11)6-12-5-7(10)3-4-8(12)13/h3-5H,6,11H2,1-2H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one?
1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one has a molecular weight of 184.21 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-5-fluoropyridin-2-one is sourced from PubChem (CID 82146938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).