tricyclo[3.3.1.02,4]non-6-ene

C9H12 — CID 12573124

IUPACtricyclo[3.3.1.02,4]non-6-ene
SMILESC1=CC2CC(C1)C1CC21
InChIInChI=1S/C9H12/c1-2-6-4-7(3-1)9-5-8(6)9/h1-2,6-9H,3-5H2
InChIKeyVPKPVMKLFXCLTE-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.22
Rot. Bonds

About tricyclo[3.3.1.02,4]non-6-ene

tricyclo[3.3.1.02,4]non-6-ene (PubChem CID 12573124) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is tricyclo[3.3.1.02,4]non-6-ene.

Molecular Properties

Compound Nametricyclo[3.3.1.02,4]non-6-ene
PubChem CID12573124
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Nametricyclo[3.3.1.02,4]non-6-ene
SMILESC1=CC2CC(C1)C1CC21
InChIInChI=1S/C9H12/c1-2-6-4-7(3-1)9-5-8(6)9/h1-2,6-9H,3-5H2
InChIKeyVPKPVMKLFXCLTE-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.22
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[3.3.1.02,4]non-6-ene?
The IUPAC name of tricyclo[3.3.1.02,4]non-6-ene (CID 12573124) is tricyclo[3.3.1.02,4]non-6-ene.
What is the SMILES notation for tricyclo[3.3.1.02,4]non-6-ene?
The canonical SMILES for tricyclo[3.3.1.02,4]non-6-ene is C1=CC2CC(C1)C1CC21.
What is the InChIKey of tricyclo[3.3.1.02,4]non-6-ene?
The InChIKey is VPKPVMKLFXCLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-6-4-7(3-1)9-5-8(6)9/h1-2,6-9H,3-5H2.
What are the key properties of tricyclo[3.3.1.02,4]non-6-ene?
tricyclo[3.3.1.02,4]non-6-ene has a molecular weight of 120.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.1.02,4]non-6-ene is sourced from PubChem (CID 12573124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).