tricyclo[4.3.0.02,4]non-7-ene

C9H12 — CID 154516658

IUPACtricyclo[4.3.0.02,4]non-7-ene
SMILESC1=CC2CC3CC3C2C1
InChIInChI=1S/C9H12/c1-2-6-4-7-5-9(7)8(6)3-1/h1-2,6-9H,3-5H2
InChIKeyXPBKYTYYFSIEDR-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.22
Rot. Bonds

About tricyclo[4.3.0.02,4]non-7-ene

tricyclo[4.3.0.02,4]non-7-ene (PubChem CID 154516658) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is tricyclo[4.3.0.02,4]non-7-ene.

Molecular Properties

Compound Nametricyclo[4.3.0.02,4]non-7-ene
PubChem CID154516658
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Nametricyclo[4.3.0.02,4]non-7-ene
SMILESC1=CC2CC3CC3C2C1
InChIInChI=1S/C9H12/c1-2-6-4-7-5-9(7)8(6)3-1/h1-2,6-9H,3-5H2
InChIKeyXPBKYTYYFSIEDR-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[4.3.0.02,4]non-7-ene?
The IUPAC name of tricyclo[4.3.0.02,4]non-7-ene (CID 154516658) is tricyclo[4.3.0.02,4]non-7-ene.
What is the SMILES notation for tricyclo[4.3.0.02,4]non-7-ene?
The canonical SMILES for tricyclo[4.3.0.02,4]non-7-ene is C1=CC2CC3CC3C2C1.
What is the InChIKey of tricyclo[4.3.0.02,4]non-7-ene?
The InChIKey is XPBKYTYYFSIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-6-4-7-5-9(7)8(6)3-1/h1-2,6-9H,3-5H2.
What are the key properties of tricyclo[4.3.0.02,4]non-7-ene?
tricyclo[4.3.0.02,4]non-7-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[4.3.0.02,4]non-7-ene is sourced from PubChem (CID 154516658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).