1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one

C13H23NO2 — CID 67963944

IUPAC1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one
SMILESCCC(C)(C)C(=O)N1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C13H23NO2/c1-8-11(2,3)9(15)14-10(16)12(4,5)13(14,6)7/h8H2,1-7H3
InChIKeyDGIGTIFSPYLAJF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.60
Rot. Bonds2

About 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one

1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one (PubChem CID 67963944) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one
PubChem CID67963944
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one
SMILESCCC(C)(C)C(=O)N1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C13H23NO2/c1-8-11(2,3)9(15)14-10(16)12(4,5)13(14,6)7/h8H2,1-7H3
InChIKeyDGIGTIFSPYLAJF-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one?
The IUPAC name of 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one (CID 67963944) is 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one is CCC(C)(C)C(=O)N1C(=O)C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one?
The InChIKey is DGIGTIFSPYLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8-11(2,3)9(15)14-10(16)12(4,5)13(14,6)7/h8H2,1-7H3.
What are the key properties of 1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one?
1-(2,2-dimethylbutanoyl)-3,3,4,4-tetramethylazetidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.60, 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)-3,3,4,4-tetramethylazetidin-2-one is sourced from PubChem (CID 67963944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).