[(Z)-3-chlorobut-2-enylidene]-dimethylazanium

C6H11ClN+ — CID 21132458

IUPAC[(Z)-3-chlorobut-2-enylidene]-dimethylazanium
SMILESC/C(Cl)=C/C=[N+](C)C
InChIInChI=1S/C6H11ClN/c1-6(7)4-5-8(2)3/h4-5H,1-3H3/q+1/b6-4-
InChIKeyHMVRBLZUGOJHFY-XQRVVYSFSA-N
MW132.61 g/mol
LogP1.47
Rot. Bonds1

About [(Z)-3-chlorobut-2-enylidene]-dimethylazanium

[(Z)-3-chlorobut-2-enylidene]-dimethylazanium (PubChem CID 21132458) has the molecular formula C6H11ClN+ and a molecular weight of 132.61 g/mol. Its IUPAC name is [(Z)-3-chlorobut-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-chlorobut-2-enylidene]-dimethylazanium
PubChem CID21132458
Molecular FormulaC6H11ClN+
Molecular Weight132.61 g/mol
Exact Mass132.06
IUPAC Name[(Z)-3-chlorobut-2-enylidene]-dimethylazanium
SMILESC/C(Cl)=C/C=[N+](C)C
InChIInChI=1S/C6H11ClN/c1-6(7)4-5-8(2)3/h4-5H,1-3H3/q+1/b6-4-
InChIKeyHMVRBLZUGOJHFY-XQRVVYSFSA-N
XLogP1.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.61
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
[(E)-3-chloroprop-2-enylidene]-dimethylazanium
CID 12484951
[(Z)-3-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 13496864
3,3-Dichloroprop-2-enylidene(dimethyl)azanium chloride
CID 11019621
3-Chloroprop-2-enylidene(dimethyl)azanium
CID 86003278
[(Z)-3-chloroprop-2-enylidene]-dimethylazanium
CID 134924545
[(E)-3-chloroprop-2-enylidene]-dimethylazanium chloride
CID 12484950
Rrqmolompcpumw-onegzznksa-
CID 13354354
[3-Chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 73183503
N,N-Dimethylprop-2-en-1-iminium
CID 18720254
But-2-enylidene(dimethyl)azanium
CID 73181565
[(E)-4-chlorobut-2-enylidene]-ethyl-methylazanium
CID 89321708

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chlorobut-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-chlorobut-2-enylidene]-dimethylazanium (CID 21132458) is [(Z)-3-chlorobut-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-chlorobut-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-chlorobut-2-enylidene]-dimethylazanium is C/C(Cl)=C/C=[N+](C)C.
What is the InChIKey of [(Z)-3-chlorobut-2-enylidene]-dimethylazanium?
The InChIKey is HMVRBLZUGOJHFY-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11ClN/c1-6(7)4-5-8(2)3/h4-5H,1-3H3/q+1/b6-4-.
What are the key properties of [(Z)-3-chlorobut-2-enylidene]-dimethylazanium?
[(Z)-3-chlorobut-2-enylidene]-dimethylazanium has a molecular weight of 132.61 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chlorobut-2-enylidene]-dimethylazanium is sourced from PubChem (CID 21132458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).