1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one

C9H13FN2O — CID 82504114

IUPAC1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one
SMILESCC(C)(CN)n1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-9(2,6-11)12-5-7(10)3-4-8(12)13/h3-5H,6,11H2,1-2H3
InChIKeyVASGEKMPQFAKKP-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.68
Rot. Bonds2

About 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one

1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one (PubChem CID 82504114) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one
PubChem CID82504114
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one
SMILESCC(C)(CN)n1cc(F)ccc1=O
InChIInChI=1S/C9H13FN2O/c1-9(2,6-11)12-5-7(10)3-4-8(12)13/h3-5H,6,11H2,1-2H3
InChIKeyVASGEKMPQFAKKP-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one (CID 82504114) is 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one is CC(C)(CN)n1cc(F)ccc1=O.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one?
The InChIKey is VASGEKMPQFAKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(2,6-11)12-5-7(10)3-4-8(12)13/h3-5H,6,11H2,1-2H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one?
1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one has a molecular weight of 184.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 82504114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).