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

C7H14ClN2+ — CID 13496864

IUPAC[(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C(Cl)=C/C=[N+](C)C
InChIInChI=1S/C7H14ClN2/c1-9(2)6-5-7(8)10(3)4/h5-6H,1-4H3/q+1
InChIKeyLLYFMOXEQYSMGV-UHFFFAOYSA-N
MW161.66 g/mol
LogP0.97
Rot. Bonds2

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

[(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 13496864) has the molecular formula C7H14ClN2+ and a molecular weight of 161.66 g/mol. Its IUPAC name is [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
PubChem CID13496864
Molecular FormulaC7H14ClN2+
Molecular Weight161.66 g/mol
Exact Mass161.08
IUPAC Name[(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C(Cl)=C/C=[N+](C)C
InChIInChI=1S/C7H14ClN2/c1-9(2)6-5-7(8)10(3)4/h5-6H,1-4H3/q+1
InChIKeyLLYFMOXEQYSMGV-UHFFFAOYSA-N
XLogP0.97
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (CID 13496864) is [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is CN(C)/C(Cl)=C/C=[N+](C)C.
What is the InChIKey of [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is LLYFMOXEQYSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN2/c1-9(2)6-5-7(8)10(3)4/h5-6H,1-4H3/q+1.
What are the key properties of [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
[(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 161.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 13496864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).