3-benzyl-4-methylazetidin-2-one

C11H13NO — CID 55255467

IUPAC3-benzyl-4-methylazetidin-2-one
SMILESCC1NC(=O)C1Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-8-10(11(13)12-8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)
InChIKeyNGNFZPWFHOSSGY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.36
Rot. Bonds2

About 3-benzyl-4-methylazetidin-2-one

3-benzyl-4-methylazetidin-2-one (PubChem CID 55255467) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-benzyl-4-methylazetidin-2-one.

Molecular Properties

Compound Name3-benzyl-4-methylazetidin-2-one
PubChem CID55255467
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-benzyl-4-methylazetidin-2-one
SMILESCC1NC(=O)C1Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-8-10(11(13)12-8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)
InChIKeyNGNFZPWFHOSSGY-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methylazetidin-2-one?
The IUPAC name of 3-benzyl-4-methylazetidin-2-one (CID 55255467) is 3-benzyl-4-methylazetidin-2-one.
What is the SMILES notation for 3-benzyl-4-methylazetidin-2-one?
The canonical SMILES for 3-benzyl-4-methylazetidin-2-one is CC1NC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methylazetidin-2-one?
The InChIKey is NGNFZPWFHOSSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-10(11(13)12-8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13).
What are the key properties of 3-benzyl-4-methylazetidin-2-one?
3-benzyl-4-methylazetidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methylazetidin-2-one is sourced from PubChem (CID 55255467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).