1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one

C13H18N2O2 — CID 122249453

IUPAC1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C13H18N2O2/c1-3-5-13(16)15-8-11(9-15)17-12-7-4-6-10(2)14-12/h4,6-7,11H,3,5,8-9H2,1-2H3
InChIKeyTYNUMWMKVSPRMA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds4

About 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one

1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one (PubChem CID 122249453) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
PubChem CID122249453
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C13H18N2O2/c1-3-5-13(16)15-8-11(9-15)17-12-7-4-6-10(2)14-12/h4,6-7,11H,3,5,8-9H2,1-2H3
InChIKeyTYNUMWMKVSPRMA-UHFFFAOYSA-N
XLogP1.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one (CID 122249453) is 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one is CCCC(=O)N1CC(Oc2cccc(C)n2)C1.
What is the InChIKey of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one?
The InChIKey is TYNUMWMKVSPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-5-13(16)15-8-11(9-15)17-12-7-4-6-10(2)14-12/h4,6-7,11H,3,5,8-9H2,1-2H3.
What are the key properties of 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one?
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one is sourced from PubChem (CID 122249453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).