tricyclo[3.3.1.03,7]non-1-ene

C9H12 — CID 91150339

IUPACtricyclo[3.3.1.03,7]non-1-ene
SMILESC1=C2CC3CC1C(C2)C3
InChIInChI=1S/C9H12/c1-6-2-8-4-7(1)5-9(8)3-6/h2,7-9H,1,3-5H2
InChIKeyCRSNKLBHGLGAIB-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.36
Rot. Bonds

About tricyclo[3.3.1.03,7]non-1-ene

tricyclo[3.3.1.03,7]non-1-ene (PubChem CID 91150339) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is tricyclo[3.3.1.03,7]non-1-ene.

Molecular Properties

Compound Nametricyclo[3.3.1.03,7]non-1-ene
PubChem CID91150339
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Nametricyclo[3.3.1.03,7]non-1-ene
SMILESC1=C2CC3CC1C(C2)C3
InChIInChI=1S/C9H12/c1-6-2-8-4-7(1)5-9(8)3-6/h2,7-9H,1,3-5H2
InChIKeyCRSNKLBHGLGAIB-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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[3.3.1.03,7]non-1-ene?
The IUPAC name of tricyclo[3.3.1.03,7]non-1-ene (CID 91150339) is tricyclo[3.3.1.03,7]non-1-ene.
What is the SMILES notation for tricyclo[3.3.1.03,7]non-1-ene?
The canonical SMILES for tricyclo[3.3.1.03,7]non-1-ene is C1=C2CC3CC1C(C2)C3.
What is the InChIKey of tricyclo[3.3.1.03,7]non-1-ene?
The InChIKey is CRSNKLBHGLGAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-6-2-8-4-7(1)5-9(8)3-6/h2,7-9H,1,3-5H2.
What are the key properties of tricyclo[3.3.1.03,7]non-1-ene?
tricyclo[3.3.1.03,7]non-1-ene has a molecular weight of 120.19 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.1.03,7]non-1-ene is sourced from PubChem (CID 91150339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).