prop-2-yn-1-ylidyne

• ChemBase ID: 129139
• Molecular Formular: C3H
• Molecular Mass: 37.04004
• Monoisotopic Mass: 37.00782503
• SMILES: [C]C#C
• Canonical SMILES: [C]C#C
• InChI: InChI=1S/C3H/c1-3-2/h1H
• InChIKey: WWDRUPNDOSDMRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-yn-1-ylidyne
• IUPAC Traditional name: propynylidyne
• Synonyms: 2-Propyn-1-ylidyne; 2-Propynylidyne; Propynylidyne

Database IDs

• CAS Number: 53590-28-6
• PubChem SID: 162223438
• PubChem CID: 6335
• Wikipedia Title: Propynylidyne

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.3627
• LogD (pH = 7.4): 0.3627
• Log P: 0.3627
• Molar Refractivity: 11.2647 cm^3
• Polarizability: 4.6679573 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true