[(E)-3-methoxyprop-2-enylidene]-dimethylazanium

C6H12NO+ — CID 12927848

IUPAC[(E)-3-methoxyprop-2-enylidene]-dimethylazanium
SMILESCO/C=C/C=[N+](C)C
InChIInChI=1S/C6H12NO/c1-7(2)5-4-6-8-3/h4-6H,1-3H3/q+1/b6-4+
InChIKeyWUFDITFAZNQDEL-GQCTYLIASA-N
MW114.17 g/mol
LogP0.49
Rot. Bonds2

About [(E)-3-methoxyprop-2-enylidene]-dimethylazanium

[(E)-3-methoxyprop-2-enylidene]-dimethylazanium (PubChem CID 12927848) has the molecular formula C6H12NO+ and a molecular weight of 114.17 g/mol. Its IUPAC name is [(E)-3-methoxyprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-methoxyprop-2-enylidene]-dimethylazanium
PubChem CID12927848
Molecular FormulaC6H12NO+
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name[(E)-3-methoxyprop-2-enylidene]-dimethylazanium
SMILESCO/C=C/C=[N+](C)C
InChIInChI=1S/C6H12NO/c1-7(2)5-4-6-8-3/h4-6H,1-3H3/q+1/b6-4+
InChIKeyWUFDITFAZNQDEL-GQCTYLIASA-N
XLogP0.49
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-methoxyprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-methoxyprop-2-enylidene]-dimethylazanium (CID 12927848) is [(E)-3-methoxyprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-methoxyprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-methoxyprop-2-enylidene]-dimethylazanium is CO/C=C/C=[N+](C)C.
What is the InChIKey of [(E)-3-methoxyprop-2-enylidene]-dimethylazanium?
The InChIKey is WUFDITFAZNQDEL-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12NO/c1-7(2)5-4-6-8-3/h4-6H,1-3H3/q+1/b6-4+.
What are the key properties of [(E)-3-methoxyprop-2-enylidene]-dimethylazanium?
[(E)-3-methoxyprop-2-enylidene]-dimethylazanium has a molecular weight of 114.17 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methoxyprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 12927848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).