3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one

C12H21NO2 — CID 67963945

IUPAC3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one
SMILESCCC(C)C(=O)N1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO2/c1-7-8(2)9(14)13-10(15)11(3,4)12(13,5)6/h8H,7H2,1-6H3
InChIKeyWWHKIZOEFMGZEP-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.21
Rot. Bonds2

About 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one

3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one (PubChem CID 67963945) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one
PubChem CID67963945
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one
SMILESCCC(C)C(=O)N1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO2/c1-7-8(2)9(14)13-10(15)11(3,4)12(13,5)6/h8H,7H2,1-6H3
InChIKeyWWHKIZOEFMGZEP-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one?
The IUPAC name of 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one (CID 67963945) is 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one?
The canonical SMILES for 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one is CCC(C)C(=O)N1C(=O)C(C)(C)C1(C)C.
What is the InChIKey of 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one?
The InChIKey is WWHKIZOEFMGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-7-8(2)9(14)13-10(15)11(3,4)12(13,5)6/h8H,7H2,1-6H3.
What are the key properties of 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one?
3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-(2-methylbutanoyl)azetidin-2-one is sourced from PubChem (CID 67963945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).