1-ethenyl-1,2-dimethylaziridin-1-ium

C6H12N+ — CID 123980388

IUPAC1-ethenyl-1,2-dimethylaziridin-1-ium
SMILESC=C[N+]1(C)CC1C
InChIInChI=1S/C6H12N/c1-4-7(3)5-6(7)2/h4,6H,1,5H2,2-3H3/q+1
InChIKeyMPOXLSIOAXDOPQ-UHFFFAOYSA-N
MW98.17 g/mol
LogP0.98
Rot. Bonds1

About 1-ethenyl-1,2-dimethylaziridin-1-ium

1-ethenyl-1,2-dimethylaziridin-1-ium (PubChem CID 123980388) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is 1-ethenyl-1,2-dimethylaziridin-1-ium.

Molecular Properties

Compound Name1-ethenyl-1,2-dimethylaziridin-1-ium
PubChem CID123980388
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Name1-ethenyl-1,2-dimethylaziridin-1-ium
SMILESC=C[N+]1(C)CC1C
InChIInChI=1S/C6H12N/c1-4-7(3)5-6(7)2/h4,6H,1,5H2,2-3H3/q+1
InChIKeyMPOXLSIOAXDOPQ-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 50.98
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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Related Compounds

N,N-bis(ethenyl)propan-2-amine
CID 134896310
N-ethenyl-N-methylpropan-2-amine
CID 17841523
N-ethenyl-N-methylbutan-2-amine
CID 17841538
N-ethenyl-N-methylcyclopropanamine
CID 20825929
1-Cyclopropyl-1-methylazirin-1-ium
CID 123178850
1-Ethenyl-2-methylaziridine
CID 123186186
1-Ethenyl-1,2,3-trimethylaziridin-1-ium
CID 124010490
1-Propylazirine
CID 139616692
1-Propan-2-ylazirine
CID 139679169
(2R)-1-ethenyl-1,2-dimethylaziridin-1-ium
CID 147151911
(2S)-1-ethenyl-2-methylaziridine
CID 147581884
1-Ethenyl-1-methylaziridin-1-ium
CID 154516684

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1,2-dimethylaziridin-1-ium?
The IUPAC name of 1-ethenyl-1,2-dimethylaziridin-1-ium (CID 123980388) is 1-ethenyl-1,2-dimethylaziridin-1-ium.
What is the SMILES notation for 1-ethenyl-1,2-dimethylaziridin-1-ium?
The canonical SMILES for 1-ethenyl-1,2-dimethylaziridin-1-ium is C=C[N+]1(C)CC1C.
What is the InChIKey of 1-ethenyl-1,2-dimethylaziridin-1-ium?
The InChIKey is MPOXLSIOAXDOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N/c1-4-7(3)5-6(7)2/h4,6H,1,5H2,2-3H3/q+1.
What are the key properties of 1-ethenyl-1,2-dimethylaziridin-1-ium?
1-ethenyl-1,2-dimethylaziridin-1-ium has a molecular weight of 98.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,2-dimethylaziridin-1-ium is sourced from PubChem (CID 123980388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).