1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one

C11H17NO2 — CID 20541706

IUPAC1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C11H17NO2/c1-4-5-6-12-10(13)7-8(2)9(3)11(12)14/h7,14H,4-6H2,1-3H3
InChIKeyVULPQTNVMPRXDP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.97
Rot. Bonds3

About 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one

1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one (PubChem CID 20541706) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one
PubChem CID20541706
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C11H17NO2/c1-4-5-6-12-10(13)7-8(2)9(3)11(12)14/h7,14H,4-6H2,1-3H3
InChIKeyVULPQTNVMPRXDP-UHFFFAOYSA-N
XLogP1.97
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The IUPAC name of 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one (CID 20541706) is 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The canonical SMILES for 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one is CCCCn1c(O)c(C)c(C)cc1=O.
What is the InChIKey of 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The InChIKey is VULPQTNVMPRXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-5-6-12-10(13)7-8(2)9(3)11(12)14/h7,14H,4-6H2,1-3H3.
What are the key properties of 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one?
1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 20541706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).