prop-2-ynylazanium

C3H6N+ — CID 3763155

IUPACprop-2-ynylazanium
SMILESC#CC[NH3+]
InChIInChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2/p+1
InChIKeyJKANAVGODYYCQF-UHFFFAOYSA-O
MW56.09 g/mol
LogP-1.14
Rot. Bonds

About prop-2-ynylazanium

prop-2-ynylazanium (PubChem CID 3763155) has the molecular formula C3H6N+ and a molecular weight of 56.09 g/mol. Its IUPAC name is prop-2-ynylazanium.

Molecular Properties

Compound Nameprop-2-ynylazanium
PubChem CID3763155
Molecular FormulaC3H6N+
Molecular Weight56.09 g/mol
Exact Mass56.05
IUPAC Nameprop-2-ynylazanium
SMILESC#CC[NH3+]
InChIInChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2/p+1
InChIKeyJKANAVGODYYCQF-UHFFFAOYSA-O
XLogP-1.14
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.09
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynylazanium?
The IUPAC name of prop-2-ynylazanium (CID 3763155) is prop-2-ynylazanium.
What is the SMILES notation for prop-2-ynylazanium?
The canonical SMILES for prop-2-ynylazanium is C#CC[NH3+].
What is the InChIKey of prop-2-ynylazanium?
The InChIKey is JKANAVGODYYCQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2/p+1.
What are the key properties of prop-2-ynylazanium?
prop-2-ynylazanium has a molecular weight of 56.09 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynylazanium is sourced from PubChem (CID 3763155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).