5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene

C13H18 — CID 20835

IUPAC5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene
SMILESC1=CCC(C2CC3C=CC2C3)CC1
InChIInChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-2,6-7,10-13H,3-5,8-9H2
InChIKeyKKCXDWJDGRCIAB-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.55
Rot. Bonds1

About 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene

5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene (PubChem CID 20835) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene
PubChem CID20835
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene
SMILESC1=CCC(C2CC3C=CC2C3)CC1
InChIInChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-2,6-7,10-13H,3-5,8-9H2
InChIKeyKKCXDWJDGRCIAB-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.55
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 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene (CID 20835) is 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene is C1=CCC(C2CC3C=CC2C3)CC1.
What is the InChIKey of 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene?
The InChIKey is KKCXDWJDGRCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-2,6-7,10-13H,3-5,8-9H2.
What are the key properties of 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene?
5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene has a molecular weight of 174.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).