2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane

C13H20 — CID 154721857

IUPAC2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
SMILESC1=C(C2CC3CCC2C3)CCCC1
InChIInChI=1S/C13H20/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h4,10,12-13H,1-3,5-9H2
InChIKeyWRVWLLCAAIGRNB-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.92
Rot. Bonds1

About 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane

2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane (PubChem CID 154721857) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
PubChem CID154721857
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
SMILESC1=C(C2CC3CCC2C3)CCCC1
InChIInChI=1S/C13H20/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h4,10,12-13H,1-3,5-9H2
InChIKeyWRVWLLCAAIGRNB-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
CID 12692992
2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
CID 106657571
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
2-(cyclopenten-1-yl)bicyclo[2.1.0]pentane
CID 147366284
(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
CID 102279327
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
CID 22020032
9-(cyclohexen-1-yl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 91360961
[2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methyl]hydrazine
CID 106649507
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 101144558

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane (CID 154721857) is 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane is C1=C(C2CC3CCC2C3)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane?
The InChIKey is WRVWLLCAAIGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h4,10,12-13H,1-3,5-9H2.
What are the key properties of 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane?
2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane has a molecular weight of 176.30 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 154721857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).