3-chloroprop-2-enylidene(dimethyl)azanium

C5H9ClN+ — CID 86003278

IUPAC3-chloroprop-2-enylidene(dimethyl)azanium
SMILESC[N+](C)=CC=CCl
InChIInChI=1S/C5H9ClN/c1-7(2)5-3-4-6/h3-5H,1-2H3/q+1
InChIKeyHRZYNOJETLYJCJ-UHFFFAOYSA-N
MW118.59 g/mol
LogP1.08
Rot. Bonds1

About 3-chloroprop-2-enylidene(dimethyl)azanium

3-chloroprop-2-enylidene(dimethyl)azanium (PubChem CID 86003278) has the molecular formula C5H9ClN+ and a molecular weight of 118.59 g/mol. Its IUPAC name is 3-chloroprop-2-enylidene(dimethyl)azanium.

Molecular Properties

Compound Name3-chloroprop-2-enylidene(dimethyl)azanium
PubChem CID86003278
Molecular FormulaC5H9ClN+
Molecular Weight118.59 g/mol
Exact Mass118.04
IUPAC Name3-chloroprop-2-enylidene(dimethyl)azanium
SMILESC[N+](C)=CC=CCl
InChIInChI=1S/C5H9ClN/c1-7(2)5-3-4-6/h3-5H,1-2H3/q+1
InChIKeyHRZYNOJETLYJCJ-UHFFFAOYSA-N
XLogP1.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.59
LogP ≤ 51.08
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

[(E)-3-chloroprop-2-enylidene]-dimethylazanium
CID 12484951
(3-Chloro-allylidene)-dimethylammonium perchlorate
CID 129732985
[(Z)-3-chloroprop-2-enylidene]-dimethylazanium
CID 134924545
[(E)-3-chloroprop-2-enylidene]-dimethylazanium chloride
CID 12484950
Rrqmolompcpumw-onegzznksa-
CID 13354354
N,N-Dimethylprop-2-en-1-iminium
CID 18720254
[(Z)-3-chlorobut-2-enylidene]-dimethylazanium
CID 21132458
[(E)-1,4-dichlorobut-2-enylidene]-dimethylazanium
CID 21643756
7-Chlorohepta-2,4,6-trienylidene(dimethyl)azanium
CID 57308280
1,4-Dichlorobut-2-enylidene(dimethyl)azanium
CID 73818688
[(E)-4-chlorobut-2-enylidene]-ethyl-methylazanium
CID 89321708
3-chloro-N-methylprop-2-en-1-imine
CID 123345838

Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-2-enylidene(dimethyl)azanium?
The IUPAC name of 3-chloroprop-2-enylidene(dimethyl)azanium (CID 86003278) is 3-chloroprop-2-enylidene(dimethyl)azanium.
What is the SMILES notation for 3-chloroprop-2-enylidene(dimethyl)azanium?
The canonical SMILES for 3-chloroprop-2-enylidene(dimethyl)azanium is C[N+](C)=CC=CCl.
What is the InChIKey of 3-chloroprop-2-enylidene(dimethyl)azanium?
The InChIKey is HRZYNOJETLYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN/c1-7(2)5-3-4-6/h3-5H,1-2H3/q+1.
What are the key properties of 3-chloroprop-2-enylidene(dimethyl)azanium?
3-chloroprop-2-enylidene(dimethyl)azanium has a molecular weight of 118.59 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-2-enylidene(dimethyl)azanium is sourced from PubChem (CID 86003278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).