6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one

C13H17NO2 — CID 139554315

IUPAC6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2C[C@@H]3CCC2C3)n(O)c(=O)c1
InChIInChI=1S/C13H17NO2/c1-8-4-12(14(16)13(15)5-8)11-7-9-2-3-10(11)6-9/h4-5,9-11,16H,2-3,6-7H2,1H3/t9-,10?,11?/m1/s1
InChIKeyWBXDEEFCGDIKFC-KPPDAEKUSA-N
MW219.28 g/mol
LogP2.30
Rot. Bonds1

About 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one

6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 139554315) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID139554315
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2C[C@@H]3CCC2C3)n(O)c(=O)c1
InChIInChI=1S/C13H17NO2/c1-8-4-12(14(16)13(15)5-8)11-7-9-2-3-10(11)6-9/h4-5,9-11,16H,2-3,6-7H2,1H3/t9-,10?,11?/m1/s1
InChIKeyWBXDEEFCGDIKFC-KPPDAEKUSA-N
XLogP2.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-cyclobutyl-1-hydroxy-4-methylpyridin-2-one
CID 155516672
1-hydroxy-6-[(1R,2S,4S)-3-(2-hydroxyethylamino)-2-bicyclo[2.2.1]heptanyl]-4-methylpyridin-2-one
CID 139554316
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
CID 101176008
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylthiophene
CID 121002337
bis(2-aminoethanol);cyclohexanol;tris(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one)
CID 174864587
(1R,2R,6R,7R)-4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124776064
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane
CID 169322267

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one (CID 139554315) is 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc(C2C[C@@H]3CCC2C3)n(O)c(=O)c1.
What is the InChIKey of 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is WBXDEEFCGDIKFC-KPPDAEKUSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-4-12(14(16)13(15)5-8)11-7-9-2-3-10(11)6-9/h4-5,9-11,16H,2-3,6-7H2,1H3/t9-,10?,11?/m1/s1.
What are the key properties of 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one?
6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 139554315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).