4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one

C12H16NO2- — CID 126456344

IUPAC4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(c2cc(C)cc(=O)n2[O-])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C12H16NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/q-1/i2D2,3D2,4D2,5D2,6D2,10D
InChIKeyUSUWCRYVPHKJCJ-WOHCQCBNSA-N
MW217.33 g/mol
LogP2.55
Rot. Bonds1

About 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one

4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one (PubChem CID 126456344) has the molecular formula C12H16NO2- and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one
PubChem CID126456344
Molecular FormulaC12H16NO2-
Molecular Weight217.33 g/mol
Exact Mass217.19
IUPAC Name4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(c2cc(C)cc(=O)n2[O-])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C12H16NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/q-1/i2D2,3D2,4D2,5D2,6D2,10D
InChIKeyUSUWCRYVPHKJCJ-WOHCQCBNSA-N
XLogP2.55
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one with MolForge

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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
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
5-Bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553750

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one (CID 126456344) is 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one is [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(c2cc(C)cc(=O)n2[O-])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one?
The InChIKey is USUWCRYVPHKJCJ-WOHCQCBNSA-N. The full InChI is InChI=1S/C12H16NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/q-1/i2D2,3D2,4D2,5D2,6D2,10D.
What are the key properties of 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one?
4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one has a molecular weight of 217.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxido-6-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)pyridin-2-one is sourced from PubChem (CID 126456344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).