[(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium

C11H17N2O+ — CID 135084174

IUPAC[(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C(=C/C=[N+](C)C)c1ccoc1
InChIInChI=1S/C11H17N2O/c1-12(2)7-5-11(13(3)4)10-6-8-14-9-10/h5-9H,1-4H3/q+1
InChIKeyAJUPHRJVMHJKIH-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.52
Rot. Bonds3

About [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium

[(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium (PubChem CID 135084174) has the molecular formula C11H17N2O+ and a molecular weight of 193.27 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium
PubChem CID135084174
Molecular FormulaC11H17N2O+
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name[(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C(=C/C=[N+](C)C)c1ccoc1
InChIInChI=1S/C11H17N2O/c1-12(2)7-5-11(13(3)4)10-6-8-14-9-10/h5-9H,1-4H3/q+1
InChIKeyAJUPHRJVMHJKIH-UHFFFAOYSA-N
XLogP1.52
TPSA19.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium (CID 135084174) is [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium is CN(C)/C(=C/C=[N+](C)C)c1ccoc1.
What is the InChIKey of [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium?
The InChIKey is AJUPHRJVMHJKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O/c1-12(2)7-5-11(13(3)4)10-6-8-14-9-10/h5-9H,1-4H3/q+1.
What are the key properties of [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium has a molecular weight of 193.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-3-(furan-3-yl)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 135084174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).