5-propylbicyclo[2.2.1]hept-2-ene

C10H16 — CID 548720

IUPAC5-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1CC2C=CC1C2
InChIInChI=1S/C10H16/c1-2-3-9-6-8-4-5-10(9)7-8/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyAKHDGSRSWWFVIZ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds2

About 5-propylbicyclo[2.2.1]hept-2-ene

5-propylbicyclo[2.2.1]hept-2-ene (PubChem CID 548720) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-propylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-propylbicyclo[2.2.1]hept-2-ene
PubChem CID548720
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1CC2C=CC1C2
InChIInChI=1S/C10H16/c1-2-3-9-6-8-4-5-10(9)7-8/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyAKHDGSRSWWFVIZ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-propylbicyclo[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-propylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-propylbicyclo[2.2.1]hept-2-ene (CID 548720) is 5-propylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-propylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-propylbicyclo[2.2.1]hept-2-ene is CCCC1CC2C=CC1C2.
What is the InChIKey of 5-propylbicyclo[2.2.1]hept-2-ene?
The InChIKey is AKHDGSRSWWFVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-3-9-6-8-4-5-10(9)7-8/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 5-propylbicyclo[2.2.1]hept-2-ene?
5-propylbicyclo[2.2.1]hept-2-ene has a molecular weight of 136.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 548720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).