5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one

C12H18N2O2 — CID 144530263

IUPAC5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one
SMILESCC(C)(CN1CCC1)Oc1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O2/c1-12(2,9-14-6-3-7-14)16-10-4-5-11(15)13-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyHGFQWNJDBVIBPV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.24
Rot. Bonds4

About 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one

5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one (PubChem CID 144530263) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one
PubChem CID144530263
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one
SMILESCC(C)(CN1CCC1)Oc1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O2/c1-12(2,9-14-6-3-7-14)16-10-4-5-11(15)13-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyHGFQWNJDBVIBPV-UHFFFAOYSA-N
XLogP1.24
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one?
The IUPAC name of 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one (CID 144530263) is 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one?
The canonical SMILES for 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one is CC(C)(CN1CCC1)Oc1ccc(=O)[nH]c1.
What is the InChIKey of 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one?
The InChIKey is HGFQWNJDBVIBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,9-14-6-3-7-14)16-10-4-5-11(15)13-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15).
What are the key properties of 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one?
5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one is sourced from PubChem (CID 144530263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).