[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium

C9H19N2O+ — CID 3037176

IUPAC[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium
SMILESCCO/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C9H19N2O/c1-6-12-9(7-10(2)3)8-11(4)5/h7-8H,6H2,1-5H3/q+1
InChIKeyFNVRCLNIRNPIEW-UHFFFAOYSA-N
MW171.26 g/mol
LogP0.77
Rot. Bonds4

About [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium

[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium (PubChem CID 3037176) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium
PubChem CID3037176
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Name[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium
SMILESCCO/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C9H19N2O/c1-6-12-9(7-10(2)3)8-11(4)5/h7-8H,6H2,1-5H3/q+1
InChIKeyFNVRCLNIRNPIEW-UHFFFAOYSA-N
XLogP0.77
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium (CID 3037176) is [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium is CCO/C(C=[N+](C)C)=C\N(C)C.
What is the InChIKey of [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium?
The InChIKey is FNVRCLNIRNPIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O/c1-6-12-9(7-10(2)3)8-11(4)5/h7-8H,6H2,1-5H3/q+1.
What are the key properties of [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium?
[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium has a molecular weight of 171.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 3037176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).