1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one

C12H15NO3 — CID 15281239

IUPAC1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2CCC2=O)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-15-10-4-3-9(11(7-10)16-2)8-13-6-5-12(13)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIQMMQDIGLWEDFG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.44
Rot. Bonds4

About 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one

1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one (PubChem CID 15281239) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
PubChem CID15281239
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2CCC2=O)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-15-10-4-3-9(11(7-10)16-2)8-13-6-5-12(13)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIQMMQDIGLWEDFG-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one (CID 15281239) is 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one is COc1ccc(CN2CCC2=O)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
The InChIKey is IQMMQDIGLWEDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-10-4-3-9(11(7-10)16-2)8-13-6-5-12(13)14/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one?
1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 15281239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).