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

C9H19ClN2O5 — CID 12727111

IUPAC[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate
SMILESCCO/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H19N2O.ClHO4/c1-6-12-9(7-10(2)3)8-11(4)5;2-1(3,4)5/h7-8H,6H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyPXZUMGOPFIEHOG-UHFFFAOYSA-M
MW270.71 g/mol
LogP-3.99
Rot. Bonds4

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

[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 12727111) has the molecular formula C9H19ClN2O5 and a molecular weight of 270.71 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate
PubChem CID12727111
Molecular FormulaC9H19ClN2O5
Molecular Weight270.71 g/mol
Exact Mass270.10
IUPAC Name[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate
SMILESCCO/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H19N2O.ClHO4/c1-6-12-9(7-10(2)3)8-11(4)5;2-1(3,4)5/h7-8H,6H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyPXZUMGOPFIEHOG-UHFFFAOYSA-M
XLogP-3.99
TPSA107.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 5-3.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 perchlorate?
The IUPAC name of [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate (CID 12727111) is [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate is CCO/C(C=[N+](C)C)=C\N(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is PXZUMGOPFIEHOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19N2O.ClHO4/c1-6-12-9(7-10(2)3)8-11(4)5;2-1(3,4)5/h7-8H,6H2,1-5H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate?
[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 270.71 g/mol, XLogP of -3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 12727111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).