6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one

C13H21NO — CID 102487011

IUPAC6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one
SMILESCc1cc(CCC(C)(C)C)n(C)c(=O)c1
InChIInChI=1S/C13H21NO/c1-10-8-11(6-7-13(2,3)4)14(5)12(15)9-10/h8-9H,6-7H2,1-5H3
InChIKeyNOFXAOUEUCYCMF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds2

About 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one

6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one (PubChem CID 102487011) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one
PubChem CID102487011
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one
SMILESCc1cc(CCC(C)(C)C)n(C)c(=O)c1
InChIInChI=1S/C13H21NO/c1-10-8-11(6-7-13(2,3)4)14(5)12(15)9-10/h8-9H,6-7H2,1-5H3
InChIKeyNOFXAOUEUCYCMF-UHFFFAOYSA-N
XLogP2.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one?
The IUPAC name of 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one (CID 102487011) is 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one?
The canonical SMILES for 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one is Cc1cc(CCC(C)(C)C)n(C)c(=O)c1.
What is the InChIKey of 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one?
The InChIKey is NOFXAOUEUCYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-8-11(6-7-13(2,3)4)14(5)12(15)9-10/h8-9H,6-7H2,1-5H3.
What are the key properties of 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one?
6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutyl)-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 102487011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).