1-cycloprop-2-en-1-ylcyclopropene

C6H6 — CID 14937193

IUPAC1-cycloprop-2-en-1-ylcyclopropene
SMILESC1=CC1C1=CC1
InChIInChI=1S/C6H6/c1-2-5(1)6-3-4-6/h1-3,5H,4H2
InChIKeyYPIAVOCSMDTUCF-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.50
Rot. Bonds1

About 1-cycloprop-2-en-1-ylcyclopropene

1-cycloprop-2-en-1-ylcyclopropene (PubChem CID 14937193) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is 1-cycloprop-2-en-1-ylcyclopropene.

Molecular Properties

Compound Name1-cycloprop-2-en-1-ylcyclopropene
PubChem CID14937193
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Name1-cycloprop-2-en-1-ylcyclopropene
SMILESC1=CC1C1=CC1
InChIInChI=1S/C6H6/c1-2-5(1)6-3-4-6/h1-3,5H,4H2
InChIKeyYPIAVOCSMDTUCF-UHFFFAOYSA-N
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cycloprop-2-en-1-ylcyclopropene?
The IUPAC name of 1-cycloprop-2-en-1-ylcyclopropene (CID 14937193) is 1-cycloprop-2-en-1-ylcyclopropene.
What is the SMILES notation for 1-cycloprop-2-en-1-ylcyclopropene?
The canonical SMILES for 1-cycloprop-2-en-1-ylcyclopropene is C1=CC1C1=CC1.
What is the InChIKey of 1-cycloprop-2-en-1-ylcyclopropene?
The InChIKey is YPIAVOCSMDTUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-2-5(1)6-3-4-6/h1-3,5H,4H2.
What are the key properties of 1-cycloprop-2-en-1-ylcyclopropene?
1-cycloprop-2-en-1-ylcyclopropene has a molecular weight of 78.11 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloprop-2-en-1-ylcyclopropene is sourced from PubChem (CID 14937193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).