but-3-enylideneazanium

C4H8N+ — CID 159928578

IUPACbut-3-enylideneazanium
SMILESC=CCC=[NH2+]
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2,4-5H,1,3H2/p+1
InChIKeyNZINGDAWDMZFCH-UHFFFAOYSA-O
MW70.12 g/mol
LogP-0.61
Rot. Bonds2

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 Namebut-3-enylideneazanium
PubChem CID159928578
Molecular FormulaC4H8N+
Molecular Weight70.12 g/mol
Exact Mass70.07
IUPAC Namebut-3-enylideneazanium
SMILESC=CCC=[NH2+]
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2,4-5H,1,3H2/p+1
InChIKeyNZINGDAWDMZFCH-UHFFFAOYSA-O
XLogP-0.61
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.12
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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).