But-3-enylideneazanium

C₄H₈N+ — CID 159928578

About But-3-enylideneazanium

But-3-enylideneazanium (PubChem CID 159928578) has the molecular formula C₄H₈N+ and a molecular weight of 70.12 g/mol. Its IUPAC name is but-3-enylideneazanium.

Molecular Properties

• Compound Name: But-3-enylideneazanium
• PubChem CID: 159928578
• Molecular Formula: C₄H₈N+
• Molecular Weight: 70.12 g/mol
• Exact Mass: 70.07
• IUPAC Name: but-3-enylideneazanium
• SMILES: C=CCC=[NH2+]
• InChI: InChI=1S/C4H7N/c1-2-3-4-5/h2,4-5H,1,3H2/p+1
• InChIKey: NZINGDAWDMZFCH-UHFFFAOYSA-O
• XLogP: -0.61
• TPSA: 25.59 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	70.12
LogP ≤ 5	-0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of But-3-enylideneazanium?

The IUPAC name of But-3-enylideneazanium (CID 159928578) is but-3-enylideneazanium.

What is the SMILES notation for But-3-enylideneazanium?

The canonical SMILES for But-3-enylideneazanium is C=CCC=[NH2+].

What is the InChIKey of But-3-enylideneazanium?

The InChIKey is NZINGDAWDMZFCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N/c1-2-3-4-5/h2,4-5H,1,3H2/p+1.

What are the key properties of But-3-enylideneazanium?

But-3-enylideneazanium has a molecular weight of 70.12 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for But-3-enylideneazanium is sourced from PubChem (CID 159928578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159928578 — identifiers, structure, computed properties (public domain)

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