tricyclo[4.2.1.03,8]non-4-ene

C9H12 — CID 15329735

IUPACtricyclo[4.2.1.03,8]non-4-ene
SMILESC1=CC2CC3CC1CC23
InChIInChI=1S/C9H12/c1-2-7-5-8-3-6(1)4-9(7)8/h1-2,6-9H,3-5H2
InChIKeyPPSPQLKEOJTFBC-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.22
Rot. Bonds

About tricyclo[4.2.1.03,8]non-4-ene

tricyclo[4.2.1.03,8]non-4-ene (PubChem CID 15329735) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is tricyclo[4.2.1.03,8]non-4-ene.

Molecular Properties

Compound Nametricyclo[4.2.1.03,8]non-4-ene
PubChem CID15329735
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Nametricyclo[4.2.1.03,8]non-4-ene
SMILESC1=CC2CC3CC1CC23
InChIInChI=1S/C9H12/c1-2-7-5-8-3-6(1)4-9(7)8/h1-2,6-9H,3-5H2
InChIKeyPPSPQLKEOJTFBC-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'}

Analyze tricyclo[4.2.1.03,8]non-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
CID 163949457
5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene
CID 162713161
5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
CID 20708566
3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 15829496
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
tricyclo[4.3.0.02,4]non-7-ene
CID 154516658
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
CID 101130839
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane
CID 134979166
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
2-bicyclo[2.2.1]hept-5-enylphosphane
CID 89139519

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.2.1.03,8]non-4-ene?
The IUPAC name of tricyclo[4.2.1.03,8]non-4-ene (CID 15329735) is tricyclo[4.2.1.03,8]non-4-ene.
What is the SMILES notation for tricyclo[4.2.1.03,8]non-4-ene?
The canonical SMILES for tricyclo[4.2.1.03,8]non-4-ene is C1=CC2CC3CC1CC23.
What is the InChIKey of tricyclo[4.2.1.03,8]non-4-ene?
The InChIKey is PPSPQLKEOJTFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-7-5-8-3-6(1)4-9(7)8/h1-2,6-9H,3-5H2.
What are the key properties of tricyclo[4.2.1.03,8]non-4-ene?
tricyclo[4.2.1.03,8]non-4-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[4.2.1.03,8]non-4-ene is sourced from PubChem (CID 15329735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).