penta-2,4-dienylideneazanium

C5H8N+ — CID 91199288

IUPACpenta-2,4-dienylideneazanium
SMILESC=CC=CC=[NH2+]
InChIInChI=1S/C5H7N/c1-2-3-4-5-6/h2-6H,1H2/p+1
InChIKeyGIMHETOMMUYESU-UHFFFAOYSA-O
MW82.13 g/mol
LogP-0.44
Rot. Bonds2

About penta-2,4-dienylideneazanium

penta-2,4-dienylideneazanium (PubChem CID 91199288) has the molecular formula C5H8N+ and a molecular weight of 82.13 g/mol. Its IUPAC name is penta-2,4-dienylideneazanium.

Molecular Properties

Compound Namepenta-2,4-dienylideneazanium
PubChem CID91199288
Molecular FormulaC5H8N+
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Namepenta-2,4-dienylideneazanium
SMILESC=CC=CC=[NH2+]
InChIInChI=1S/C5H7N/c1-2-3-4-5-6/h2-6H,1H2/p+1
InChIKeyGIMHETOMMUYESU-UHFFFAOYSA-O
XLogP-0.44
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of penta-2,4-dienylideneazanium?
The IUPAC name of penta-2,4-dienylideneazanium (CID 91199288) is penta-2,4-dienylideneazanium.
What is the SMILES notation for penta-2,4-dienylideneazanium?
The canonical SMILES for penta-2,4-dienylideneazanium is C=CC=CC=[NH2+].
What is the InChIKey of penta-2,4-dienylideneazanium?
The InChIKey is GIMHETOMMUYESU-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N/c1-2-3-4-5-6/h2-6H,1H2/p+1.
What are the key properties of penta-2,4-dienylideneazanium?
penta-2,4-dienylideneazanium has a molecular weight of 82.13 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-2,4-dienylideneazanium is sourced from PubChem (CID 91199288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).