2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one

C14H18N2O2 — CID 95841662

IUPAC2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CN(C(=O)C3CCC3)C2)[nH]1
InChIInChI=1S/C14H18N2O2/c1-9-5-12(17)6-13(15-9)11-7-16(8-11)14(18)10-3-2-4-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyXJIUAOLAPQNQPR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds2

About 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one

2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 95841662) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one
PubChem CID95841662
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CN(C(=O)C3CCC3)C2)[nH]1
InChIInChI=1S/C14H18N2O2/c1-9-5-12(17)6-13(15-9)11-7-16(8-11)14(18)10-3-2-4-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyXJIUAOLAPQNQPR-UHFFFAOYSA-N
XLogP1.41
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one (CID 95841662) is 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc(C2CN(C(=O)C3CCC3)C2)[nH]1.
What is the InChIKey of 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is XJIUAOLAPQNQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-12(17)6-13(15-9)11-7-16(8-11)14(18)10-3-2-4-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one?
2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 246.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutanecarbonyl)azetidin-3-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 95841662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).