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

C7H14BrClN2O4 — CID 71601971

IUPAC[(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCN(C)/C=C(\Br)C=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H14BrN2.ClHO4/c1-9(2)5-7(8)6-10(3)4;2-1(3,4)5/h5-6H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyMNQVYHOALJHKNL-UHFFFAOYSA-M
MW305.56 g/mol
LogP-3.63
Rot. Bonds2

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

[(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 71601971) has the molecular formula C7H14BrClN2O4 and a molecular weight of 305.56 g/mol. Its IUPAC name is [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
PubChem CID71601971
Molecular FormulaC7H14BrClN2O4
Molecular Weight305.56 g/mol
Exact Mass303.98
IUPAC Name[(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCN(C)/C=C(\Br)C=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H14BrN2.ClHO4/c1-9(2)5-7(8)6-10(3)4;2-1(3,4)5/h5-6H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyMNQVYHOALJHKNL-UHFFFAOYSA-M
XLogP-3.63
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
The IUPAC name of [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate (CID 71601971) is [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate is CN(C)/C=C(\Br)C=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is MNQVYHOALJHKNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14BrN2.ClHO4/c1-9(2)5-7(8)6-10(3)4;2-1(3,4)5/h5-6H,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
[(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 305.56 g/mol, XLogP of -3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 71601971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).