5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene

C11H16 — CID 22398340

IUPAC5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene
SMILESCC/C=C/C1CC2=CCC1C2
InChIInChI=1S/C11H16/c1-2-3-4-10-7-9-5-6-11(10)8-9/h3-5,10-11H,2,6-8H2,1H3/b4-3+
InChIKeyDZHWXFBWIXDDKX-ONEGZZNKSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds2

About 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene

5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene (PubChem CID 22398340) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene
PubChem CID22398340
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene
SMILESCC/C=C/C1CC2=CCC1C2
InChIInChI=1S/C11H16/c1-2-3-4-10-7-9-5-6-11(10)8-9/h3-5,10-11H,2,6-8H2,1H3/b4-3+
InChIKeyDZHWXFBWIXDDKX-ONEGZZNKSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
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-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene (CID 22398340) is 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene is CC/C=C/C1CC2=CCC1C2.
What is the InChIKey of 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene?
The InChIKey is DZHWXFBWIXDDKX-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-4-10-7-9-5-6-11(10)8-9/h3-5,10-11H,2,6-8H2,1H3/b4-3+.
What are the key properties of 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene?
5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 22398340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).