but-2-enylidene(methyl)azanium

C5H10N+ — CID 58771551

IUPACbut-2-enylidene(methyl)azanium
SMILESCC=C/C=[NH+]/C
InChIInChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H,1-2H3/p+1/b4-3?,6-5+
InChIKeyJRZQPZUNBMWNGL-DSSYRYGXSA-O
MW84.14 g/mol
LogP-0.66
Rot. Bonds1

About but-2-enylidene(methyl)azanium

but-2-enylidene(methyl)azanium (PubChem CID 58771551) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is but-2-enylidene(methyl)azanium.

Molecular Properties

Compound Namebut-2-enylidene(methyl)azanium
PubChem CID58771551
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Namebut-2-enylidene(methyl)azanium
SMILESCC=C/C=[NH+]/C
InChIInChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H,1-2H3/p+1/b4-3?,6-5+
InChIKeyJRZQPZUNBMWNGL-DSSYRYGXSA-O
XLogP-0.66
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-2-enylidene(methyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of but-2-enylidene(methyl)azanium?
The IUPAC name of but-2-enylidene(methyl)azanium (CID 58771551) is but-2-enylidene(methyl)azanium.
What is the SMILES notation for but-2-enylidene(methyl)azanium?
The canonical SMILES for but-2-enylidene(methyl)azanium is CC=C/C=[NH+]/C.
What is the InChIKey of but-2-enylidene(methyl)azanium?
The InChIKey is JRZQPZUNBMWNGL-DSSYRYGXSA-O. The full InChI is InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H,1-2H3/p+1/b4-3?,6-5+.
What are the key properties of but-2-enylidene(methyl)azanium?
but-2-enylidene(methyl)azanium has a molecular weight of 84.14 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enylidene(methyl)azanium is sourced from PubChem (CID 58771551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).