7-prop-2-enylbicyclo[4.2.0]oct-1-ene

C11H16 — CID 562064

IUPAC7-prop-2-enylbicyclo[4.2.0]oct-1-ene
SMILESC=CCC1CC2=CCCCC21
InChIInChI=1S/C11H16/c1-2-5-9-8-10-6-3-4-7-11(9)10/h2,6,9,11H,1,3-5,7-8H2
InChIKeyFPVVWZGIAWEJNR-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds2

About 7-prop-2-enylbicyclo[4.2.0]oct-1-ene

7-prop-2-enylbicyclo[4.2.0]oct-1-ene (PubChem CID 562064) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 7-prop-2-enylbicyclo[4.2.0]oct-1-ene.

Molecular Properties

Compound Name7-prop-2-enylbicyclo[4.2.0]oct-1-ene
PubChem CID562064
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name7-prop-2-enylbicyclo[4.2.0]oct-1-ene
SMILESC=CCC1CC2=CCCCC21
InChIInChI=1S/C11H16/c1-2-5-9-8-10-6-3-4-7-11(9)10/h2,6,9,11H,1,3-5,7-8H2
InChIKeyFPVVWZGIAWEJNR-UHFFFAOYSA-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'}

Analyze 7-prop-2-enylbicyclo[4.2.0]oct-1-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 7-prop-2-enylbicyclo[4.2.0]oct-1-ene?
The IUPAC name of 7-prop-2-enylbicyclo[4.2.0]oct-1-ene (CID 562064) is 7-prop-2-enylbicyclo[4.2.0]oct-1-ene.
What is the SMILES notation for 7-prop-2-enylbicyclo[4.2.0]oct-1-ene?
The canonical SMILES for 7-prop-2-enylbicyclo[4.2.0]oct-1-ene is C=CCC1CC2=CCCCC21.
What is the InChIKey of 7-prop-2-enylbicyclo[4.2.0]oct-1-ene?
The InChIKey is FPVVWZGIAWEJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-5-9-8-10-6-3-4-7-11(9)10/h2,6,9,11H,1,3-5,7-8H2.
What are the key properties of 7-prop-2-enylbicyclo[4.2.0]oct-1-ene?
7-prop-2-enylbicyclo[4.2.0]oct-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 7-prop-2-enylbicyclo[4.2.0]oct-1-ene is sourced from PubChem (CID 562064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).