1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one

C10H14N2O — CID 79885681

IUPAC1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CNC1
InChIInChI=1S/C10H14N2O/c1-7-3-10(13)4-8(2)12(7)9-5-11-6-9/h3-4,9,11H,5-6H2,1-2H3
InChIKeyMQGJENIHIHXDPL-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.61
Rot. Bonds1

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

1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one (PubChem CID 79885681) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one
PubChem CID79885681
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CNC1
InChIInChI=1S/C10H14N2O/c1-7-3-10(13)4-8(2)12(7)9-5-11-6-9/h3-4,9,11H,5-6H2,1-2H3
InChIKeyMQGJENIHIHXDPL-UHFFFAOYSA-N
XLogP0.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one (CID 79885681) is 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is MQGJENIHIHXDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-3-10(13)4-8(2)12(7)9-5-11-6-9/h3-4,9,11H,5-6H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one?
1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 178.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).