tricyclo[4.2.1.01,5]non-5-ene

C9H12 — CID 163497592

IUPACtricyclo[4.2.1.01,5]non-5-ene
SMILESC1CC2=C3CCC2(C1)C3
InChIInChI=1S/C9H12/c1-2-8-7-3-5-9(8,4-1)6-7/h1-6H2
InChIKeyCSAOSSDMOCKEOU-UHFFFAOYSA-N
MW120.20 g/mol
LogP2.65
Rot. Bonds

About tricyclo[4.2.1.01,5]non-5-ene

tricyclo[4.2.1.01,5]non-5-ene (PubChem CID 163497592) has the molecular formula C9H12 and a molecular weight of 120.20 g/mol. Its IUPAC name is tricyclo[4.2.1.01,5]non-5-ene.

Molecular Properties

Compound Nametricyclo[4.2.1.01,5]non-5-ene
PubChem CID163497592
Molecular FormulaC9H12
Molecular Weight120.20 g/mol
Exact Mass120.09
IUPAC Nametricyclo[4.2.1.01,5]non-5-ene
SMILESC1CC2=C3CCC2(C1)C3
InChIInChI=1S/C9H12/c1-2-8-7-3-5-9(8,4-1)6-7/h1-6H2
InChIKeyCSAOSSDMOCKEOU-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 52.65
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 tricyclo[4.2.1.01,5]non-5-ene?
The IUPAC name of tricyclo[4.2.1.01,5]non-5-ene (CID 163497592) is tricyclo[4.2.1.01,5]non-5-ene.
What is the SMILES notation for tricyclo[4.2.1.01,5]non-5-ene?
The canonical SMILES for tricyclo[4.2.1.01,5]non-5-ene is C1CC2=C3CCC2(C1)C3.
What is the InChIKey of tricyclo[4.2.1.01,5]non-5-ene?
The InChIKey is CSAOSSDMOCKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-8-7-3-5-9(8,4-1)6-7/h1-6H2.
What are the key properties of tricyclo[4.2.1.01,5]non-5-ene?
tricyclo[4.2.1.01,5]non-5-ene has a molecular weight of 120.20 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.2.1.01,5]non-5-ene is sourced from PubChem (CID 163497592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).