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

C7H14Cl2N2 — CID 135056281

IUPAC[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C(\Cl)C=[N+](C)C.[Cl-]
InChIInChI=1S/C7H14ClN2.ClH/c1-9(2)5-7(8)6-10(3)4;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyPDJVDAIHCGIPEN-UHFFFAOYSA-M
MW197.11 g/mol
LogP-2.02
Rot. Bonds2

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

[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride (PubChem CID 135056281) has the molecular formula C7H14Cl2N2 and a molecular weight of 197.11 g/mol. Its IUPAC name is [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
PubChem CID135056281
Molecular FormulaC7H14Cl2N2
Molecular Weight197.11 g/mol
Exact Mass196.05
IUPAC Name[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C(\Cl)C=[N+](C)C.[Cl-]
InChIInChI=1S/C7H14ClN2.ClH/c1-9(2)5-7(8)6-10(3)4;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyPDJVDAIHCGIPEN-UHFFFAOYSA-M
XLogP-2.02
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The IUPAC name of [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride (CID 135056281) is [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride.
What is the SMILES notation for [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The canonical SMILES for [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride is CN(C)/C=C(\Cl)C=[N+](C)C.[Cl-].
What is the InChIKey of [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The InChIKey is PDJVDAIHCGIPEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14ClN2.ClH/c1-9(2)5-7(8)6-10(3)4;/h5-6H,1-4H3;1H/q+1;/p-1.
What are the key properties of [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride has a molecular weight of 197.11 g/mol, XLogP of -2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride is sourced from PubChem (CID 135056281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).