5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one

C13H20N2O — CID 146182809

IUPAC5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CC2CN(C)C2)ccc1=O
InChIInChI=1S/C13H20N2O/c1-10(2)15-9-11(4-5-13(15)16)6-12-7-14(3)8-12/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyUKSYFBIXTDNDMG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds3

About 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one

5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182809) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182809
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CC2CN(C)C2)ccc1=O
InChIInChI=1S/C13H20N2O/c1-10(2)15-9-11(4-5-13(15)16)6-12-7-14(3)8-12/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyUKSYFBIXTDNDMG-UHFFFAOYSA-N
XLogP1.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one (CID 146182809) is 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CC2CN(C)C2)ccc1=O.
What is the InChIKey of 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is UKSYFBIXTDNDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15-9-11(4-5-13(15)16)6-12-7-14(3)8-12/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one?
5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).