5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene

C11H16 — CID 139783357

IUPAC5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene
SMILESC=CC1CC2(C)C=CC1(C)C2
InChIInChI=1S/C11H16/c1-4-9-7-10(2)5-6-11(9,3)8-10/h4-6,9H,1,7-8H2,2-3H3
InChIKeyUOISEIFHKDIDFA-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds1

About 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene

5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 139783357) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene
PubChem CID139783357
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene
SMILESC=CC1CC2(C)C=CC1(C)C2
InChIInChI=1S/C11H16/c1-4-9-7-10(2)5-6-11(9,3)8-10/h4-6,9H,1,7-8H2,2-3H3
InChIKeyUOISEIFHKDIDFA-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.16
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-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene (CID 139783357) is 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene is C=CC1CC2(C)C=CC1(C)C2.
What is the InChIKey of 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is UOISEIFHKDIDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-9-7-10(2)5-6-11(9,3)8-10/h4-6,9H,1,7-8H2,2-3H3.
What are the key properties of 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene?
5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 148.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139783357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).