2-methoxy-2-methyloxaziridin-2-ium

C3H8NO2+ — CID 158002240

IUPAC2-methoxy-2-methyloxaziridin-2-ium
SMILESCO[N+]1(C)CO1
InChIInChI=1S/C3H8NO2/c1-4(5-2)3-6-4/h3H2,1-2H3/q+1
InChIKeyVNIVXBOOGOUFDD-UHFFFAOYSA-N
MW90.10 g/mol
LogP-0.10
Rot. Bonds1

About 2-methoxy-2-methyloxaziridin-2-ium

2-methoxy-2-methyloxaziridin-2-ium (PubChem CID 158002240) has the molecular formula C3H8NO2+ and a molecular weight of 90.10 g/mol. Its IUPAC name is 2-methoxy-2-methyloxaziridin-2-ium.

Molecular Properties

Compound Name2-methoxy-2-methyloxaziridin-2-ium
PubChem CID158002240
Molecular FormulaC3H8NO2+
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name2-methoxy-2-methyloxaziridin-2-ium
SMILESCO[N+]1(C)CO1
InChIInChI=1S/C3H8NO2/c1-4(5-2)3-6-4/h3H2,1-2H3/q+1
InChIKeyVNIVXBOOGOUFDD-UHFFFAOYSA-N
XLogP-0.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyloxaziridin-2-ium?
The IUPAC name of 2-methoxy-2-methyloxaziridin-2-ium (CID 158002240) is 2-methoxy-2-methyloxaziridin-2-ium.
What is the SMILES notation for 2-methoxy-2-methyloxaziridin-2-ium?
The canonical SMILES for 2-methoxy-2-methyloxaziridin-2-ium is CO[N+]1(C)CO1.
What is the InChIKey of 2-methoxy-2-methyloxaziridin-2-ium?
The InChIKey is VNIVXBOOGOUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO2/c1-4(5-2)3-6-4/h3H2,1-2H3/q+1.
What are the key properties of 2-methoxy-2-methyloxaziridin-2-ium?
2-methoxy-2-methyloxaziridin-2-ium has a molecular weight of 90.10 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyloxaziridin-2-ium is sourced from PubChem (CID 158002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).