5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene

C13H18 — CID 22020032

IUPAC5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C2CC(C1)C(C1=CCCCC1)C2
InChIInChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h4,6,12-13H,1-3,5,7-9H2
InChIKeyOTLIJDRPTQSEDA-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.84
Rot. Bonds1

About 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene

5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene (PubChem CID 22020032) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
PubChem CID22020032
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C2CC(C1)C(C1=CCCCC1)C2
InChIInChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h4,6,12-13H,1-3,5,7-9H2
InChIKeyOTLIJDRPTQSEDA-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene (CID 22020032) is 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene is C1=C2CC(C1)C(C1=CCCCC1)C2.
What is the InChIKey of 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is OTLIJDRPTQSEDA-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/h4,6,12-13H,1-3,5,7-9H2.
What are the key properties of 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 174.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 22020032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).