1-tert-butyl-4,4-diethylazetidin-2-one

C11H21NO — CID 10487715

IUPAC1-tert-butyl-4,4-diethylazetidin-2-one
SMILESCCC1(CC)CC(=O)N1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-11(7-2)8-9(13)12(11)10(3,4)5/h6-8H2,1-5H3
InChIKeyWWPYIGLZUUOANS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.58
Rot. Bonds2

About 1-tert-butyl-4,4-diethylazetidin-2-one

1-tert-butyl-4,4-diethylazetidin-2-one (PubChem CID 10487715) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-tert-butyl-4,4-diethylazetidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4,4-diethylazetidin-2-one
PubChem CID10487715
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-tert-butyl-4,4-diethylazetidin-2-one
SMILESCCC1(CC)CC(=O)N1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-11(7-2)8-9(13)12(11)10(3,4)5/h6-8H2,1-5H3
InChIKeyWWPYIGLZUUOANS-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-diethylazetidin-2-one?
The IUPAC name of 1-tert-butyl-4,4-diethylazetidin-2-one (CID 10487715) is 1-tert-butyl-4,4-diethylazetidin-2-one.
What is the SMILES notation for 1-tert-butyl-4,4-diethylazetidin-2-one?
The canonical SMILES for 1-tert-butyl-4,4-diethylazetidin-2-one is CCC1(CC)CC(=O)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4,4-diethylazetidin-2-one?
The InChIKey is WWPYIGLZUUOANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-11(7-2)8-9(13)12(11)10(3,4)5/h6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-4,4-diethylazetidin-2-one?
1-tert-butyl-4,4-diethylazetidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-diethylazetidin-2-one is sourced from PubChem (CID 10487715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).