2-ethenyl-2,4-dimethyloxazin-2-ium

C8H12NO+ — CID 67907999

IUPAC2-ethenyl-2,4-dimethyloxazin-2-ium
SMILESC=C[N+]1(C)C=C(C)C=CO1
InChIInChI=1S/C8H12NO/c1-4-9(3)7-8(2)5-6-10-9/h4-7H,1H2,2-3H3/q+1
InChIKeyAAVXGNIFNQUZLD-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.94
Rot. Bonds1

About 2-ethenyl-2,4-dimethyloxazin-2-ium

2-ethenyl-2,4-dimethyloxazin-2-ium (PubChem CID 67907999) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-ethenyl-2,4-dimethyloxazin-2-ium.

Molecular Properties

Compound Name2-ethenyl-2,4-dimethyloxazin-2-ium
PubChem CID67907999
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name2-ethenyl-2,4-dimethyloxazin-2-ium
SMILESC=C[N+]1(C)C=C(C)C=CO1
InChIInChI=1S/C8H12NO/c1-4-9(3)7-8(2)5-6-10-9/h4-7H,1H2,2-3H3/q+1
InChIKeyAAVXGNIFNQUZLD-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,4-dimethyloxazin-2-ium?
The IUPAC name of 2-ethenyl-2,4-dimethyloxazin-2-ium (CID 67907999) is 2-ethenyl-2,4-dimethyloxazin-2-ium.
What is the SMILES notation for 2-ethenyl-2,4-dimethyloxazin-2-ium?
The canonical SMILES for 2-ethenyl-2,4-dimethyloxazin-2-ium is C=C[N+]1(C)C=C(C)C=CO1.
What is the InChIKey of 2-ethenyl-2,4-dimethyloxazin-2-ium?
The InChIKey is AAVXGNIFNQUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO/c1-4-9(3)7-8(2)5-6-10-9/h4-7H,1H2,2-3H3/q+1.
What are the key properties of 2-ethenyl-2,4-dimethyloxazin-2-ium?
2-ethenyl-2,4-dimethyloxazin-2-ium has a molecular weight of 138.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,4-dimethyloxazin-2-ium is sourced from PubChem (CID 67907999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).