5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene

C11H16 — CID 22561154

IUPAC5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
SMILESC=CC(C)C1CC2C=CC1C2
InChIInChI=1S/C11H16/c1-3-8(2)11-7-9-4-5-10(11)6-9/h3-5,8-11H,1,6-7H2,2H3
InChIKeyQZBBDNPZYHGGDG-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.02
Rot. Bonds2

About 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene

5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene (PubChem CID 22561154) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
PubChem CID22561154
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
SMILESC=CC(C)C1CC2C=CC1C2
InChIInChI=1S/C11H16/c1-3-8(2)11-7-9-4-5-10(11)6-9/h3-5,8-11H,1,6-7H2,2H3
InChIKeyQZBBDNPZYHGGDG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene (CID 22561154) is 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene is C=CC(C)C1CC2C=CC1C2.
What is the InChIKey of 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene?
The InChIKey is QZBBDNPZYHGGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-8(2)11-7-9-4-5-10(11)6-9/h3-5,8-11H,1,6-7H2,2H3.
What are the key properties of 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene?
5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene has a molecular weight of 148.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22561154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).