1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one

C14H21NO2 — CID 79885058

IUPAC1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1(CO)CCCCC1
InChIInChI=1S/C14H21NO2/c1-11-8-13(17)9-12(2)15(11)14(10-16)6-4-3-5-7-14/h8-9,16H,3-7,10H2,1-2H3
InChIKeyXLBUSFYROPXCHT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.12
Rot. Bonds2

About 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one

1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one (PubChem CID 79885058) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one
PubChem CID79885058
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1(CO)CCCCC1
InChIInChI=1S/C14H21NO2/c1-11-8-13(17)9-12(2)15(11)14(10-16)6-4-3-5-7-14/h8-9,16H,3-7,10H2,1-2H3
InChIKeyXLBUSFYROPXCHT-UHFFFAOYSA-N
XLogP2.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one (CID 79885058) is 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C1(CO)CCCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one?
The InChIKey is XLBUSFYROPXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-8-13(17)9-12(2)15(11)14(10-16)6-4-3-5-7-14/h8-9,16H,3-7,10H2,1-2H3.
What are the key properties of 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one?
1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one has a molecular weight of 235.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclohexyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).