1-tert-butyl-4-ethyl-4-methylazetidin-2-one

C10H19NO — CID 10678722

IUPAC1-tert-butyl-4-ethyl-4-methylazetidin-2-one
SMILESCCC1(C)CC(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-10(5)7-8(12)11(10)9(2,3)4/h6-7H2,1-5H3
InChIKeyXDIRWCZMLHJLAU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds1

About 1-tert-butyl-4-ethyl-4-methylazetidin-2-one

1-tert-butyl-4-ethyl-4-methylazetidin-2-one (PubChem CID 10678722) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-4-methylazetidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-4-methylazetidin-2-one
PubChem CID10678722
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-tert-butyl-4-ethyl-4-methylazetidin-2-one
SMILESCCC1(C)CC(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-10(5)7-8(12)11(10)9(2,3)4/h6-7H2,1-5H3
InChIKeyXDIRWCZMLHJLAU-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-4-methylazetidin-2-one?
The IUPAC name of 1-tert-butyl-4-ethyl-4-methylazetidin-2-one (CID 10678722) is 1-tert-butyl-4-ethyl-4-methylazetidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-ethyl-4-methylazetidin-2-one?
The canonical SMILES for 1-tert-butyl-4-ethyl-4-methylazetidin-2-one is CCC1(C)CC(=O)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-ethyl-4-methylazetidin-2-one?
The InChIKey is XDIRWCZMLHJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-10(5)7-8(12)11(10)9(2,3)4/h6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-4-ethyl-4-methylazetidin-2-one?
1-tert-butyl-4-ethyl-4-methylazetidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-4-methylazetidin-2-one is sourced from PubChem (CID 10678722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).