2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium

C7H15NO — CID 150177278

IUPAC2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium
SMILESCC1(C)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C7H15NO/c1-6(2)5-7(3,4)8(6)9/h8H,5H2,1-4H3
InChIKeyFKRKECVSQSTMEQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.33
Rot. Bonds

About 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium

2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium (PubChem CID 150177278) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium
PubChem CID150177278
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium
SMILESCC1(C)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C7H15NO/c1-6(2)5-7(3,4)8(6)9/h8H,5H2,1-4H3
InChIKeyFKRKECVSQSTMEQ-UHFFFAOYSA-N
XLogP0.33
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium?
The IUPAC name of 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium (CID 150177278) is 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium?
The canonical SMILES for 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium is CC1(C)CC(C)(C)[NH+]1[O-].
What is the InChIKey of 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium?
The InChIKey is FKRKECVSQSTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)5-7(3,4)8(6)9/h8H,5H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium?
2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium has a molecular weight of 129.20 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium is sourced from PubChem (CID 150177278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).