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

C13H18 — CID 19099788

IUPAC2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C(C2=C3CCC(C3)C2)CCCC1
InChIInChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h4,10H,1-3,5-9H2
InChIKeyMKDXIPOAHLYADE-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.99
Rot. Bonds1

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

2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene (PubChem CID 19099788) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
PubChem CID19099788
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C(C2=C3CCC(C3)C2)CCCC1
InChIInChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h4,10H,1-3,5-9H2
InChIKeyMKDXIPOAHLYADE-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene (CID 19099788) is 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene is C1=C(C2=C3CCC(C3)C2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is MKDXIPOAHLYADE-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/h4,10H,1-3,5-9H2.
What are the key properties of 2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene?
2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 174.29 g/mol, XLogP of 3.99, 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]hept-1-ene is sourced from PubChem (CID 19099788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).