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

C14H17NO2 — CID 24823606

IUPAC1-benzyl-3,3-diethylazetidine-2,4-dione
SMILESCCC1(CC)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H17NO2/c1-3-14(4-2)12(16)15(13(14)17)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyFWKVKYCYDHDEBH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.36
Rot. Bonds4

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

1-benzyl-3,3-diethylazetidine-2,4-dione (PubChem CID 24823606) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-benzyl-3,3-diethylazetidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3,3-diethylazetidine-2,4-dione
PubChem CID24823606
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-benzyl-3,3-diethylazetidine-2,4-dione
SMILESCCC1(CC)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H17NO2/c1-3-14(4-2)12(16)15(13(14)17)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyFWKVKYCYDHDEBH-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.36
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-diethylazetidine-2,4-dione?
The IUPAC name of 1-benzyl-3,3-diethylazetidine-2,4-dione (CID 24823606) is 1-benzyl-3,3-diethylazetidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3,3-diethylazetidine-2,4-dione?
The canonical SMILES for 1-benzyl-3,3-diethylazetidine-2,4-dione is CCC1(CC)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3,3-diethylazetidine-2,4-dione?
The InChIKey is FWKVKYCYDHDEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-14(4-2)12(16)15(13(14)17)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 1-benzyl-3,3-diethylazetidine-2,4-dione?
1-benzyl-3,3-diethylazetidine-2,4-dione has a molecular weight of 231.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-diethylazetidine-2,4-dione is sourced from PubChem (CID 24823606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).