[(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium

C5H11ClN2+2 — CID 135045540

IUPAC[(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium
SMILESC[N+](C)=C/C([ClH+])=C/N
InChIInChI=1S/C5H10ClN2/c1-8(2)4-5(6)3-7/h3-4,6-7H,1-2H3/q+1/p+1
InChIKeyHNVQYNYKIIRUGX-UHFFFAOYSA-O
MW134.61 g/mol
LogP-0.59
Rot. Bonds1

About [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium

[(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium (PubChem CID 135045540) has the molecular formula C5H11ClN2+2 and a molecular weight of 134.61 g/mol. Its IUPAC name is [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium
PubChem CID135045540
Molecular FormulaC5H11ClN2+2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name[(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium
SMILESC[N+](C)=C/C([ClH+])=C/N
InChIInChI=1S/C5H10ClN2/c1-8(2)4-5(6)3-7/h3-4,6-7H,1-2H3/q+1/p+1
InChIKeyHNVQYNYKIIRUGX-UHFFFAOYSA-O
XLogP-0.59
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
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)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium (CID 135045540) is [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium is C[N+](C)=C/C([ClH+])=C/N.
What is the InChIKey of [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium?
The InChIKey is HNVQYNYKIIRUGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10ClN2/c1-8(2)4-5(6)3-7/h3-4,6-7H,1-2H3/q+1/p+1.
What are the key properties of [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium?
[(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium has a molecular weight of 134.61 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 135045540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).