1-ethenyl-1-methylaziridin-1-ium

C5H10N+ — CID 154516684

IUPAC1-ethenyl-1-methylaziridin-1-ium
SMILESC=C[N+]1(C)CC1
InChIInChI=1S/C5H10N/c1-3-6(2)4-5-6/h3H,1,4-5H2,2H3/q+1
InChIKeyGSOLXSBOGSLHFS-UHFFFAOYSA-N
MW84.14 g/mol
LogP0.59
Rot. Bonds1

About 1-ethenyl-1-methylaziridin-1-ium

1-ethenyl-1-methylaziridin-1-ium (PubChem CID 154516684) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is 1-ethenyl-1-methylaziridin-1-ium.

Molecular Properties

Compound Name1-ethenyl-1-methylaziridin-1-ium
PubChem CID154516684
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Name1-ethenyl-1-methylaziridin-1-ium
SMILESC=C[N+]1(C)CC1
InChIInChI=1S/C5H10N/c1-3-6(2)4-5-6/h3H,1,4-5H2,2H3/q+1
InChIKeyGSOLXSBOGSLHFS-UHFFFAOYSA-N
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-ethenyl-1-methylaziridin-1-ium?
The IUPAC name of 1-ethenyl-1-methylaziridin-1-ium (CID 154516684) is 1-ethenyl-1-methylaziridin-1-ium.
What is the SMILES notation for 1-ethenyl-1-methylaziridin-1-ium?
The canonical SMILES for 1-ethenyl-1-methylaziridin-1-ium is C=C[N+]1(C)CC1.
What is the InChIKey of 1-ethenyl-1-methylaziridin-1-ium?
The InChIKey is GSOLXSBOGSLHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N/c1-3-6(2)4-5-6/h3H,1,4-5H2,2H3/q+1.
What are the key properties of 1-ethenyl-1-methylaziridin-1-ium?
1-ethenyl-1-methylaziridin-1-ium has a molecular weight of 84.14 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methylaziridin-1-ium is sourced from PubChem (CID 154516684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).