1-(4-ethenylbenzoyl)-4-methylazetidin-2-one

C13H13NO2 — CID 163784041

IUPAC1-(4-ethenylbenzoyl)-4-methylazetidin-2-one
SMILESC=Cc1ccc(C(=O)N2C(=O)CC2C)cc1
InChIInChI=1S/C13H13NO2/c1-3-10-4-6-11(7-5-10)13(16)14-9(2)8-12(14)15/h3-7,9H,1,8H2,2H3
InChIKeyMQZXCHGIHQACGC-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.09
Rot. Bonds2

About 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one

1-(4-ethenylbenzoyl)-4-methylazetidin-2-one (PubChem CID 163784041) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name1-(4-ethenylbenzoyl)-4-methylazetidin-2-one
PubChem CID163784041
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(4-ethenylbenzoyl)-4-methylazetidin-2-one
SMILESC=Cc1ccc(C(=O)N2C(=O)CC2C)cc1
InChIInChI=1S/C13H13NO2/c1-3-10-4-6-11(7-5-10)13(16)14-9(2)8-12(14)15/h3-7,9H,1,8H2,2H3
InChIKeyMQZXCHGIHQACGC-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one?
The IUPAC name of 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one (CID 163784041) is 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one.
What is the SMILES notation for 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one?
The canonical SMILES for 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one is C=Cc1ccc(C(=O)N2C(=O)CC2C)cc1.
What is the InChIKey of 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one?
The InChIKey is MQZXCHGIHQACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-10-4-6-11(7-5-10)13(16)14-9(2)8-12(14)15/h3-7,9H,1,8H2,2H3.
What are the key properties of 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one?
1-(4-ethenylbenzoyl)-4-methylazetidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylbenzoyl)-4-methylazetidin-2-one is sourced from PubChem (CID 163784041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).