3-benzyl-3-methyl-1-phenylazetidine-2,4-dione

C17H15NO2 — CID 44626902

IUPAC3-benzyl-3-methyl-1-phenylazetidine-2,4-dione
SMILESCC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(17)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyZFHCQEMYYXRUAS-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.81
Rot. Bonds3

About 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione

3-benzyl-3-methyl-1-phenylazetidine-2,4-dione (PubChem CID 44626902) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-3-methyl-1-phenylazetidine-2,4-dione
PubChem CID44626902
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-benzyl-3-methyl-1-phenylazetidine-2,4-dione
SMILESCC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(17)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyZFHCQEMYYXRUAS-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione?
The IUPAC name of 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione (CID 44626902) is 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione.
What is the SMILES notation for 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione?
The canonical SMILES for 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione is CC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione?
The InChIKey is ZFHCQEMYYXRUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(17)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione?
3-benzyl-3-methyl-1-phenylazetidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methyl-1-phenylazetidine-2,4-dione is sourced from PubChem (CID 44626902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).