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

C14H24N2O2 — CID 144530262

IUPAC5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane
SMILESCC.CC(C)(CN1CCC1)Oc1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O2.C2H6/c1-12(2,9-14-6-3-7-14)16-10-4-5-11(15)13-8-10;1-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15);1-2H3
InChIKeyKZXOCRFHHQSCNU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.26
Rot. Bonds4

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

5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane (PubChem CID 144530262) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane
PubChem CID144530262
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane
SMILESCC.CC(C)(CN1CCC1)Oc1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O2.C2H6/c1-12(2,9-14-6-3-7-14)16-10-4-5-11(15)13-8-10;1-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15);1-2H3
InChIKeyKZXOCRFHHQSCNU-UHFFFAOYSA-N
XLogP2.26
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.26
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;ethane?
The IUPAC name of 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane (CID 144530262) is 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane.
What is the SMILES notation for 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane?
The canonical SMILES for 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane is CC.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;ethane?
The InChIKey is KZXOCRFHHQSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C2H6/c1-12(2,9-14-6-3-7-14)16-10-4-5-11(15)13-8-10;1-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,15);1-2H3.
What are the key properties of 5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane?
5-[1-(azetidin-1-yl)-2-methylpropan-2-yl]oxy-1H-pyridin-2-one;ethane has a molecular weight of 252.36 g/mol, XLogP of 2.26, 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;ethane is sourced from PubChem (CID 144530262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).