3-ethynylcyclopropene

C5H4 — CID 10964393

IUPAC3-ethynylcyclopropene
SMILESC#CC1C=C1
InChIInChI=1S/C5H4/c1-2-5-3-4-5/h1,3-5H
InChIKeyJGJOZLNPBMYOLU-UHFFFAOYSA-N
MW64.09 g/mol
LogP0.81
Rot. Bonds

About 3-ethynylcyclopropene

3-ethynylcyclopropene (PubChem CID 10964393) has the molecular formula C5H4 and a molecular weight of 64.09 g/mol. Its IUPAC name is 3-ethynylcyclopropene.

Molecular Properties

Compound Name3-ethynylcyclopropene
PubChem CID10964393
Molecular FormulaC5H4
Molecular Weight64.09 g/mol
Exact Mass64.03
IUPAC Name3-ethynylcyclopropene
SMILESC#CC1C=C1
InChIInChI=1S/C5H4/c1-2-5-3-4-5/h1,3-5H
InChIKeyJGJOZLNPBMYOLU-UHFFFAOYSA-N
XLogP0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.09
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynylcyclopropene?
The IUPAC name of 3-ethynylcyclopropene (CID 10964393) is 3-ethynylcyclopropene.
What is the SMILES notation for 3-ethynylcyclopropene?
The canonical SMILES for 3-ethynylcyclopropene is C#CC1C=C1.
What is the InChIKey of 3-ethynylcyclopropene?
The InChIKey is JGJOZLNPBMYOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4/c1-2-5-3-4-5/h1,3-5H.
What are the key properties of 3-ethynylcyclopropene?
3-ethynylcyclopropene has a molecular weight of 64.09 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynylcyclopropene is sourced from PubChem (CID 10964393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).