1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one

C11H19NO2 — CID 67963946

IUPAC1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one
SMILESCCC(C)(C)C(=O)N1C(=O)CC1(C)C
InChIInChI=1S/C11H19NO2/c1-6-10(2,3)9(14)12-8(13)7-11(12,4)5/h6-7H2,1-5H3
InChIKeyHHZQFSHIIRTMBK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.96
Rot. Bonds2

About 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one

1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one (PubChem CID 67963946) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one
PubChem CID67963946
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one
SMILESCCC(C)(C)C(=O)N1C(=O)CC1(C)C
InChIInChI=1S/C11H19NO2/c1-6-10(2,3)9(14)12-8(13)7-11(12,4)5/h6-7H2,1-5H3
InChIKeyHHZQFSHIIRTMBK-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one?
The IUPAC name of 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one (CID 67963946) is 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one is CCC(C)(C)C(=O)N1C(=O)CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one?
The InChIKey is HHZQFSHIIRTMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-10(2,3)9(14)12-8(13)7-11(12,4)5/h6-7H2,1-5H3.
What are the key properties of 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one?
1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutanoyl)-4,4-dimethylazetidin-2-one is sourced from PubChem (CID 67963946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).