1-benzyl-3-methoxyazetidin-2-one

C11H13NO2 — CID 23110348

IUPAC1-benzyl-3-methoxyazetidin-2-one
SMILESCOC1CN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H13NO2/c1-14-10-8-12(11(10)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeySGXKJPABBWXWGT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.04
Rot. Bonds3

About 1-benzyl-3-methoxyazetidin-2-one

1-benzyl-3-methoxyazetidin-2-one (PubChem CID 23110348) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-benzyl-3-methoxyazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methoxyazetidin-2-one
PubChem CID23110348
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-benzyl-3-methoxyazetidin-2-one
SMILESCOC1CN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H13NO2/c1-14-10-8-12(11(10)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeySGXKJPABBWXWGT-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxyazetidin-2-one?
The IUPAC name of 1-benzyl-3-methoxyazetidin-2-one (CID 23110348) is 1-benzyl-3-methoxyazetidin-2-one.
What is the SMILES notation for 1-benzyl-3-methoxyazetidin-2-one?
The canonical SMILES for 1-benzyl-3-methoxyazetidin-2-one is COC1CN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-methoxyazetidin-2-one?
The InChIKey is SGXKJPABBWXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10-8-12(11(10)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 1-benzyl-3-methoxyazetidin-2-one?
1-benzyl-3-methoxyazetidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxyazetidin-2-one is sourced from PubChem (CID 23110348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).