1-cycloprop-2-en-1-ylcyclobutene

C7H8 — CID 90747929

IUPAC1-cycloprop-2-en-1-ylcyclobutene
SMILESC1=CC1C1=CCC1
InChIInChI=1S/C7H8/c1-2-6(3-1)7-4-5-7/h2,4-5,7H,1,3H2
InChIKeyOBOIGLPVTSHGHK-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.89
Rot. Bonds1

About 1-cycloprop-2-en-1-ylcyclobutene

1-cycloprop-2-en-1-ylcyclobutene (PubChem CID 90747929) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is 1-cycloprop-2-en-1-ylcyclobutene.

Molecular Properties

Compound Name1-cycloprop-2-en-1-ylcyclobutene
PubChem CID90747929
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Name1-cycloprop-2-en-1-ylcyclobutene
SMILESC1=CC1C1=CCC1
InChIInChI=1S/C7H8/c1-2-6(3-1)7-4-5-7/h2,4-5,7H,1,3H2
InChIKeyOBOIGLPVTSHGHK-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.89
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-ylcyclobutene?
The IUPAC name of 1-cycloprop-2-en-1-ylcyclobutene (CID 90747929) is 1-cycloprop-2-en-1-ylcyclobutene.
What is the SMILES notation for 1-cycloprop-2-en-1-ylcyclobutene?
The canonical SMILES for 1-cycloprop-2-en-1-ylcyclobutene is C1=CC1C1=CCC1.
What is the InChIKey of 1-cycloprop-2-en-1-ylcyclobutene?
The InChIKey is OBOIGLPVTSHGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-6(3-1)7-4-5-7/h2,4-5,7H,1,3H2.
What are the key properties of 1-cycloprop-2-en-1-ylcyclobutene?
1-cycloprop-2-en-1-ylcyclobutene has a molecular weight of 92.14 g/mol, XLogP of 1.89, 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-ylcyclobutene is sourced from PubChem (CID 90747929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).