6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one

C12H17NO2 — CID 54761144

IUPAC6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one
SMILES[2H]Cc1cc(=O)n(O)c(C2CCCCC2)c1[2H]
InChIInChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3/i1D,7D
InChIKeySCKYRAXSEDYPSA-COMABECVSA-N
MW209.29 g/mol
LogP2.44
Rot. Bonds2

About 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one

6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one (PubChem CID 54761144) has the molecular formula C12H17NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one
PubChem CID54761144
Molecular FormulaC12H17NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one
SMILES[2H]Cc1cc(=O)n(O)c(C2CCCCC2)c1[2H]
InChIInChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3/i1D,7D
InChIKeySCKYRAXSEDYPSA-COMABECVSA-N
XLogP2.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.44
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

Ciclopirox
CID 2749
Piroctone
CID 50259
6-Cyclohexyl-1-hydroxypyridin-2-one
CID 25069320
Fosciclopirox
CID 67773619
6-Cycloheptyl-1-hydroxy-4-methylpyridin-2-one
CID 155523702
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclopentyl-1-hydroxy-4-methylpyridin-2-one
CID 13590962
6-Cyclobutyl-1-hydroxy-4-methylpyridin-2-one
CID 155516672
1-Hydroxy-4-methyl-6-nonylpyridin-2-one
CID 13590948
6-Heptyl-1-hydroxy-4-methylpyridin-2-one
CID 20158105
3-Bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553634
6-Cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
CID 139553636

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one?
The IUPAC name of 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one (CID 54761144) is 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one?
The canonical SMILES for 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one is [2H]Cc1cc(=O)n(O)c(C2CCCCC2)c1[2H].
What is the InChIKey of 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one?
The InChIKey is SCKYRAXSEDYPSA-COMABECVSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3/i1D,7D.
What are the key properties of 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one?
6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one is sourced from PubChem (CID 54761144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).