3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one

C13H16N2O3 — CID 63763273

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H16N2O3/c16-10-6-8-3-4-9(7-10)15(8)13(18)11-2-1-5-14-12(11)17/h1-2,5,8-10,16H,3-4,6-7H2,(H,14,17)
InChIKeyKHUIJCPXLSMDQW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.50
Rot. Bonds1

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

3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one (PubChem CID 63763273) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one
PubChem CID63763273
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H16N2O3/c16-10-6-8-3-4-9(7-10)15(8)13(18)11-2-1-5-14-12(11)17/h1-2,5,8-10,16H,3-4,6-7H2,(H,14,17)
InChIKeyKHUIJCPXLSMDQW-UHFFFAOYSA-N
XLogP0.50
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
(2,3-dichlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764835
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 63764476
[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 163308493
2-[2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]benzonitrile
CID 126811160
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-methoxy-3-pyridinyl)methanone
CID 63763799
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 111109373
(3-amino-2-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 115549075
2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-3-carboxylic acid
CID 63764553
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763941

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one (CID 63763273) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one?
The InChIKey is KHUIJCPXLSMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-10-6-8-3-4-9(7-10)15(8)13(18)11-2-1-5-14-12(11)17/h1-2,5,8-10,16H,3-4,6-7H2,(H,14,17).
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one?
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 63763273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).