1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one

C11H16N2O — CID 130576983

IUPAC1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one
SMILESCc1cn(CCC2CNC2)ccc1=O
InChIInChI=1S/C11H16N2O/c1-9-8-13(5-3-11(9)14)4-2-10-6-12-7-10/h3,5,8,10,12H,2,4,6-7H2,1H3
InChIKeyJTLPUPZBZIZGQL-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.77
Rot. Bonds3

About 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one

1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one (PubChem CID 130576983) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one
PubChem CID130576983
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one
SMILESCc1cn(CCC2CNC2)ccc1=O
InChIInChI=1S/C11H16N2O/c1-9-8-13(5-3-11(9)14)4-2-10-6-12-7-10/h3,5,8,10,12H,2,4,6-7H2,1H3
InChIKeyJTLPUPZBZIZGQL-UHFFFAOYSA-N
XLogP0.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one (CID 130576983) is 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one is Cc1cn(CCC2CNC2)ccc1=O.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one?
The InChIKey is JTLPUPZBZIZGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-8-13(5-3-11(9)14)4-2-10-6-12-7-10/h3,5,8,10,12H,2,4,6-7H2,1H3.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one?
1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one is sourced from PubChem (CID 130576983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).