4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one

C12H16N2O2 — CID 72716699

IUPAC4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1cc(OC2CNC2)cc(=O)n1C1CC1
InChIInChI=1S/C12H16N2O2/c1-8-4-10(16-11-6-13-7-11)5-12(15)14(8)9-2-3-9/h4-5,9,11,13H,2-3,6-7H2,1H3
InChIKeyZUHOIUSTSSRJQW-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.84
Rot. Bonds3

About 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one

4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 72716699) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID72716699
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1cc(OC2CNC2)cc(=O)n1C1CC1
InChIInChI=1S/C12H16N2O2/c1-8-4-10(16-11-6-13-7-11)5-12(15)14(8)9-2-3-9/h4-5,9,11,13H,2-3,6-7H2,1H3
InChIKeyZUHOIUSTSSRJQW-UHFFFAOYSA-N
XLogP0.84
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one (CID 72716699) is 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one is Cc1cc(OC2CNC2)cc(=O)n1C1CC1.
What is the InChIKey of 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is ZUHOIUSTSSRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-4-10(16-11-6-13-7-11)5-12(15)14(8)9-2-3-9/h4-5,9,11,13H,2-3,6-7H2,1H3.
What are the key properties of 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one?
4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-1-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 72716699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).