2,2,3-trimethyloxaziridin-2-ium

C4H10NO+ — CID 101024828

IUPAC2,2,3-trimethyloxaziridin-2-ium
SMILESCC1O[N+]1(C)C
InChIInChI=1S/C4H10NO/c1-4-5(2,3)6-4/h4H,1-3H3/q+1
InChIKeyFGIZFRXZRZOTFN-UHFFFAOYSA-N
MW88.13 g/mol
LogP0.35
Rot. Bonds

About 2,2,3-trimethyloxaziridin-2-ium

2,2,3-trimethyloxaziridin-2-ium (PubChem CID 101024828) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is 2,2,3-trimethyloxaziridin-2-ium.

Molecular Properties

Compound Name2,2,3-trimethyloxaziridin-2-ium
PubChem CID101024828
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Name2,2,3-trimethyloxaziridin-2-ium
SMILESCC1O[N+]1(C)C
InChIInChI=1S/C4H10NO/c1-4-5(2,3)6-4/h4H,1-3H3/q+1
InChIKeyFGIZFRXZRZOTFN-UHFFFAOYSA-N
XLogP0.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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1,1,2,3,4,5,6-heptamethylpiperidin-1-ium
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5-methyloxolan-2-one
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1,1-dimethylaziridin-1-ium iodide
CID 88764737
2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8,10-pentaium
CID 163513129
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2-methyloxan-3-one
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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyloxaziridin-2-ium?
The IUPAC name of 2,2,3-trimethyloxaziridin-2-ium (CID 101024828) is 2,2,3-trimethyloxaziridin-2-ium.
What is the SMILES notation for 2,2,3-trimethyloxaziridin-2-ium?
The canonical SMILES for 2,2,3-trimethyloxaziridin-2-ium is CC1O[N+]1(C)C.
What is the InChIKey of 2,2,3-trimethyloxaziridin-2-ium?
The InChIKey is FGIZFRXZRZOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO/c1-4-5(2,3)6-4/h4H,1-3H3/q+1.
What are the key properties of 2,2,3-trimethyloxaziridin-2-ium?
2,2,3-trimethyloxaziridin-2-ium has a molecular weight of 88.13 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyloxaziridin-2-ium is sourced from PubChem (CID 101024828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).