ethenyl-ethyl-methylideneazanium

C5H10N+ — CID 71349694

IUPACethenyl-ethyl-methylideneazanium
SMILESC=C[N+](=C)CC
InChIInChI=1S/C5H10N/c1-4-6(3)5-2/h4H,1,3,5H2,2H3/q+1
InChIKeyXJHWBHMCQCITBR-UHFFFAOYSA-N
MW84.14 g/mol
LogP0.86
Rot. Bonds2

About ethenyl-ethyl-methylideneazanium

ethenyl-ethyl-methylideneazanium (PubChem CID 71349694) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is ethenyl-ethyl-methylideneazanium.

Molecular Properties

Compound Nameethenyl-ethyl-methylideneazanium
PubChem CID71349694
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Nameethenyl-ethyl-methylideneazanium
SMILESC=C[N+](=C)CC
InChIInChI=1S/C5H10N/c1-4-6(3)5-2/h4H,1,3,5H2,2H3/q+1
InChIKeyXJHWBHMCQCITBR-UHFFFAOYSA-N
XLogP0.86
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 50.86
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 ethenyl-ethyl-methylideneazanium?
The IUPAC name of ethenyl-ethyl-methylideneazanium (CID 71349694) is ethenyl-ethyl-methylideneazanium.
What is the SMILES notation for ethenyl-ethyl-methylideneazanium?
The canonical SMILES for ethenyl-ethyl-methylideneazanium is C=C[N+](=C)CC.
What is the InChIKey of ethenyl-ethyl-methylideneazanium?
The InChIKey is XJHWBHMCQCITBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N/c1-4-6(3)5-2/h4H,1,3,5H2,2H3/q+1.
What are the key properties of ethenyl-ethyl-methylideneazanium?
ethenyl-ethyl-methylideneazanium has a molecular weight of 84.14 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-ethyl-methylideneazanium is sourced from PubChem (CID 71349694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).