1-benzyl-3,3-dimethylazetidine-2,4-dione

C12H13NO2 — CID 24823444

IUPAC1-benzyl-3,3-dimethylazetidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-12(2)10(14)13(11(12)15)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyLGZSEGMYAOALQU-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.58
Rot. Bonds2

About 1-benzyl-3,3-dimethylazetidine-2,4-dione

1-benzyl-3,3-dimethylazetidine-2,4-dione (PubChem CID 24823444) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-benzyl-3,3-dimethylazetidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3,3-dimethylazetidine-2,4-dione
PubChem CID24823444
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-benzyl-3,3-dimethylazetidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-12(2)10(14)13(11(12)15)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyLGZSEGMYAOALQU-UHFFFAOYSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.58
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 1-benzyl-3,3-dimethylazetidine-2,4-dione?
The IUPAC name of 1-benzyl-3,3-dimethylazetidine-2,4-dione (CID 24823444) is 1-benzyl-3,3-dimethylazetidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3,3-dimethylazetidine-2,4-dione?
The canonical SMILES for 1-benzyl-3,3-dimethylazetidine-2,4-dione is CC1(C)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3,3-dimethylazetidine-2,4-dione?
The InChIKey is LGZSEGMYAOALQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)10(14)13(11(12)15)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 1-benzyl-3,3-dimethylazetidine-2,4-dione?
1-benzyl-3,3-dimethylazetidine-2,4-dione has a molecular weight of 203.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-dimethylazetidine-2,4-dione is sourced from PubChem (CID 24823444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).