4-(4-tert-butylcyclohexyl)azetidin-2-one

C13H23NO — CID 104576003

IUPAC4-(4-tert-butylcyclohexyl)azetidin-2-one
SMILESCC(C)(C)C1CCC(C2CC(=O)N2)CC1
InChIInChI=1S/C13H23NO/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(15)14-11/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyGZFKJXARRRZNDV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds1

About 4-(4-tert-butylcyclohexyl)azetidin-2-one

4-(4-tert-butylcyclohexyl)azetidin-2-one (PubChem CID 104576003) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)azetidin-2-one
PubChem CID104576003
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(4-tert-butylcyclohexyl)azetidin-2-one
SMILESCC(C)(C)C1CCC(C2CC(=O)N2)CC1
InChIInChI=1S/C13H23NO/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(15)14-11/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyGZFKJXARRRZNDV-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
CID 104665410
(3R,6R)-6-tert-butyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 91495086
4-tert-butylcyclohexan-1-one
CID 7392
7-tert-butyl-1-azaspiro[3.5]nonan-2-one
CID 64663866
1,4-ditert-butylcycloheptane
CID 58579546
1,3-ditert-butylcyclopentane;ethane
CID 161179598
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
6-tert-butyl-1,3-diazinane-2,4-dione
CID 78207120
5-(4-chlorocyclohexyl)pyrrolidin-2-one
CID 122491329
5-tert-butyl-2-methylcycloheptan-1-one
CID 73120802
5,6-difluoro-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 42608945
(5S)-5-cyclopentylpyrrolidin-2-one
CID 15156533

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)azetidin-2-one?
The IUPAC name of 4-(4-tert-butylcyclohexyl)azetidin-2-one (CID 104576003) is 4-(4-tert-butylcyclohexyl)azetidin-2-one.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)azetidin-2-one?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)azetidin-2-one is CC(C)(C)C1CCC(C2CC(=O)N2)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)azetidin-2-one?
The InChIKey is GZFKJXARRRZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(15)14-11/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-(4-tert-butylcyclohexyl)azetidin-2-one?
4-(4-tert-butylcyclohexyl)azetidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)azetidin-2-one is sourced from PubChem (CID 104576003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).