[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate

C11H12Cl3NO4 — CID 135052899

IUPAC[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
SMILESC[N+](C)=C/C=C(/Cl)c1ccc(Cl)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H12Cl2N.ClHO4/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/q+1;/p-1/b11-7+;
InChIKeyDFIZVNKDKJZRBV-RVDQCCQOSA-M
MW328.58 g/mol
LogP-1.49
Rot. Bonds2

About [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate

[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 135052899) has the molecular formula C11H12Cl3NO4 and a molecular weight of 328.58 g/mol. Its IUPAC name is [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
PubChem CID135052899
Molecular FormulaC11H12Cl3NO4
Molecular Weight328.58 g/mol
Exact Mass326.98
IUPAC Name[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
SMILESC[N+](C)=C/C=C(/Cl)c1ccc(Cl)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H12Cl2N.ClHO4/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/q+1;/p-1/b11-7+;
InChIKeyDFIZVNKDKJZRBV-RVDQCCQOSA-M
XLogP-1.49
TPSA95.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.58
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate?
The IUPAC name of [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate (CID 135052899) is [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate is C[N+](C)=C/C=C(/Cl)c1ccc(Cl)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is DFIZVNKDKJZRBV-RVDQCCQOSA-M. The full InChI is InChI=1S/C11H12Cl2N.ClHO4/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/q+1;/p-1/b11-7+;.
What are the key properties of [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate?
[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 328.58 g/mol, XLogP of -1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 135052899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).