1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione

C11H10ClNO2 — CID 24823445

IUPAC1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H10ClNO2/c1-11(2)9(14)13(10(11)15)8-5-3-7(12)4-6-8/h3-6H,1-2H3
InChIKeyAECTUDIMXRACDO-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.24
Rot. Bonds1

About 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione

1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione (PubChem CID 24823445) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione
PubChem CID24823445
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H10ClNO2/c1-11(2)9(14)13(10(11)15)8-5-3-7(12)4-6-8/h3-6H,1-2H3
InChIKeyAECTUDIMXRACDO-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.24
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-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione (CID 24823445) is 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione is CC1(C)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione?
The InChIKey is AECTUDIMXRACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-11(2)9(14)13(10(11)15)8-5-3-7(12)4-6-8/h3-6H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione?
1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione has a molecular weight of 223.66 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione is sourced from PubChem (CID 24823445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).