bicyclo[10.1.0]tridec-1-ene

C13H22 — CID 548879

IUPACbicyclo[10.1.0]tridec-1-ene
SMILESC1=C2CC2CCCCCCCCC1
InChIInChI=1S/C13H22/c1-2-4-6-8-10-13-11-12(13)9-7-5-3-1/h9,13H,1-8,10-11H2
InChIKeyHBCJKSFKKMFQIA-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.46
Rot. Bonds

About bicyclo[10.1.0]tridec-1-ene

bicyclo[10.1.0]tridec-1-ene (PubChem CID 548879) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is bicyclo[10.1.0]tridec-1-ene.

Molecular Properties

Compound Namebicyclo[10.1.0]tridec-1-ene
PubChem CID548879
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Namebicyclo[10.1.0]tridec-1-ene
SMILESC1=C2CC2CCCCCCCCC1
InChIInChI=1S/C13H22/c1-2-4-6-8-10-13-11-12(13)9-7-5-3-1/h9,13H,1-8,10-11H2
InChIKeyHBCJKSFKKMFQIA-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bicyclo[10.1.0]tridec-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 bicyclo[10.1.0]tridec-1-ene?
The IUPAC name of bicyclo[10.1.0]tridec-1-ene (CID 548879) is bicyclo[10.1.0]tridec-1-ene.
What is the SMILES notation for bicyclo[10.1.0]tridec-1-ene?
The canonical SMILES for bicyclo[10.1.0]tridec-1-ene is C1=C2CC2CCCCCCCCC1.
What is the InChIKey of bicyclo[10.1.0]tridec-1-ene?
The InChIKey is HBCJKSFKKMFQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-4-6-8-10-13-11-12(13)9-7-5-3-1/h9,13H,1-8,10-11H2.
What are the key properties of bicyclo[10.1.0]tridec-1-ene?
bicyclo[10.1.0]tridec-1-ene has a molecular weight of 178.32 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[10.1.0]tridec-1-ene is sourced from PubChem (CID 548879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).