4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one

C10H17NO2 — CID 67963947

IUPAC4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one
SMILESCCC(C)C(=O)N1C(=O)CC1(C)C
InChIInChI=1S/C10H17NO2/c1-5-7(2)9(13)11-8(12)6-10(11,3)4/h7H,5-6H2,1-4H3
InChIKeyRNFBTZUMNRKYEO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds2

About 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one

4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one (PubChem CID 67963947) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one
PubChem CID67963947
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one
SMILESCCC(C)C(=O)N1C(=O)CC1(C)C
InChIInChI=1S/C10H17NO2/c1-5-7(2)9(13)11-8(12)6-10(11,3)4/h7H,5-6H2,1-4H3
InChIKeyRNFBTZUMNRKYEO-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-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 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one?
The IUPAC name of 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one (CID 67963947) is 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one is CCC(C)C(=O)N1C(=O)CC1(C)C.
What is the InChIKey of 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one?
The InChIKey is RNFBTZUMNRKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7(2)9(13)11-8(12)6-10(11,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one?
4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylbutanoyl)azetidin-2-one is sourced from PubChem (CID 67963947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).