1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene

C13H16 — CID 91228801

IUPAC1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene
SMILESCC1=C(C2CCC=C2C2=CCC2)C1
InChIInChI=1S/C13H16/c1-9-8-13(9)12-7-3-6-11(12)10-4-2-5-10/h4,6,12H,2-3,5,7-8H2,1H3
InChIKeyLXRRLOBVXGQOAH-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.76
Rot. Bonds2

About 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene

1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene (PubChem CID 91228801) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene.

Molecular Properties

Compound Name1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene
PubChem CID91228801
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene
SMILESCC1=C(C2CCC=C2C2=CCC2)C1
InChIInChI=1S/C13H16/c1-9-8-13(9)12-7-3-6-11(12)10-4-2-5-10/h4,6,12H,2-3,5,7-8H2,1H3
InChIKeyLXRRLOBVXGQOAH-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.76
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-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene?
The IUPAC name of 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene (CID 91228801) is 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene.
What is the SMILES notation for 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene?
The canonical SMILES for 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene is CC1=C(C2CCC=C2C2=CCC2)C1.
What is the InChIKey of 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene?
The InChIKey is LXRRLOBVXGQOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-9-8-13(9)12-7-3-6-11(12)10-4-2-5-10/h4,6,12H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene?
1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene has a molecular weight of 172.27 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobuten-1-yl)-5-(2-methylcyclopropen-1-yl)cyclopentene is sourced from PubChem (CID 91228801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).