4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one

C14H18N2O3 — CID 55243953

IUPAC4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2C3CCC2CC(O)C3)cc1=O
InChIInChI=1S/C14H18N2O3/c1-15-5-4-9(6-13(15)18)14(19)16-10-2-3-11(16)8-12(17)7-10/h4-6,10-12,17H,2-3,7-8H2,1H3
InChIKeyDAEOCYKZTJOQKW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.51
Rot. Bonds1

About 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one

4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one (PubChem CID 55243953) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one
PubChem CID55243953
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2C3CCC2CC(O)C3)cc1=O
InChIInChI=1S/C14H18N2O3/c1-15-5-4-9(6-13(15)18)14(19)16-10-2-3-11(16)8-12(17)7-10/h4-6,10-12,17H,2-3,7-8H2,1H3
InChIKeyDAEOCYKZTJOQKW-UHFFFAOYSA-N
XLogP0.51
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one (CID 55243953) is 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one is Cn1ccc(C(=O)N2C3CCC2CC(O)C3)cc1=O.
What is the InChIKey of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one?
The InChIKey is DAEOCYKZTJOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-5-4-9(6-13(15)18)14(19)16-10-2-3-11(16)8-12(17)7-10/h4-6,10-12,17H,2-3,7-8H2,1H3.
What are the key properties of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one?
4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 55243953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).