[(Z)-but-2-enylidene]-ethenyl-methylazanium

C7H12N+ — CID 89028491

IUPAC[(Z)-but-2-enylidene]-ethenyl-methylazanium
SMILESC=C/[N+](C)=C/C=C\C
InChIInChI=1S/C7H12N/c1-4-6-7-8(3)5-2/h4-7H,2H2,1,3H3/q+1/b6-4-,8-7+
InChIKeyJAZFNQSGSGAOIC-IQTBQJLQSA-N
MW110.18 g/mol
LogP1.42
Rot. Bonds2

About [(Z)-but-2-enylidene]-ethenyl-methylazanium

[(Z)-but-2-enylidene]-ethenyl-methylazanium (PubChem CID 89028491) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is [(Z)-but-2-enylidene]-ethenyl-methylazanium.

Molecular Properties

Compound Name[(Z)-but-2-enylidene]-ethenyl-methylazanium
PubChem CID89028491
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name[(Z)-but-2-enylidene]-ethenyl-methylazanium
SMILESC=C/[N+](C)=C/C=C\C
InChIInChI=1S/C7H12N/c1-4-6-7-8(3)5-2/h4-7H,2H2,1,3H3/q+1/b6-4-,8-7+
InChIKeyJAZFNQSGSGAOIC-IQTBQJLQSA-N
XLogP1.42
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-enylidene]-ethenyl-methylazanium?
The IUPAC name of [(Z)-but-2-enylidene]-ethenyl-methylazanium (CID 89028491) is [(Z)-but-2-enylidene]-ethenyl-methylazanium.
What is the SMILES notation for [(Z)-but-2-enylidene]-ethenyl-methylazanium?
The canonical SMILES for [(Z)-but-2-enylidene]-ethenyl-methylazanium is C=C/[N+](C)=C/C=C\C.
What is the InChIKey of [(Z)-but-2-enylidene]-ethenyl-methylazanium?
The InChIKey is JAZFNQSGSGAOIC-IQTBQJLQSA-N. The full InChI is InChI=1S/C7H12N/c1-4-6-7-8(3)5-2/h4-7H,2H2,1,3H3/q+1/b6-4-,8-7+.
What are the key properties of [(Z)-but-2-enylidene]-ethenyl-methylazanium?
[(Z)-but-2-enylidene]-ethenyl-methylazanium has a molecular weight of 110.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-enylidene]-ethenyl-methylazanium is sourced from PubChem (CID 89028491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).