tricyclo[3.2.2.02,4]non-1-ene

C9H12 — CID 153092329

IUPACtricyclo[3.2.2.02,4]non-1-ene
SMILESC1CC2CCC1=C1CC12
InChIInChI=1S/C9H12/c1-2-7-4-3-6(1)8-5-9(7)8/h6,8H,1-5H2
InChIKeyVPKGSSMNAMZYJV-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.51
Rot. Bonds

About tricyclo[3.2.2.02,4]non-1-ene

tricyclo[3.2.2.02,4]non-1-ene (PubChem CID 153092329) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is tricyclo[3.2.2.02,4]non-1-ene.

Molecular Properties

Compound Nametricyclo[3.2.2.02,4]non-1-ene
PubChem CID153092329
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Nametricyclo[3.2.2.02,4]non-1-ene
SMILESC1CC2CCC1=C1CC12
InChIInChI=1S/C9H12/c1-2-7-4-3-6(1)8-5-9(7)8/h6,8H,1-5H2
InChIKeyVPKGSSMNAMZYJV-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tricyclo[3.2.2.02,4]non-1(7)-ene
CID 91054697
3-Cyclopropylidenebutan-2-ylcyclohexane
CID 123920628
1-Cyclohexyl-2-cyclopropylidenecyclohexane
CID 139980194
2,3-Dimethylbicyclo[4.1.0]hept-2-ene
CID 142000413
1-Cyclopropylidene-4-propan-2-ylcyclohexane
CID 143970565
2,4-Dimethylbicyclo[4.1.0]hept-1-ene
CID 146946988
(6R)-7-cyclopropylbicyclo[4.1.0]hept-1(7)-ene
CID 147701373
1,2,3,4,5,5a,6,6a-Octahydrocyclopropa[a]indene
CID 147975806
2-Cyclopropylbicyclo[3.1.0]hex-1(5)-ene
CID 153214359
7-Cyclopropyl-5-ethylbicyclo[4.1.0]hept-1(7)-ene
CID 163905426
(5R,8R)-tricyclo[3.3.1.02,8]non-1-ene
CID 164056992
2-Ethyl-5-methylbicyclo[4.1.0]hept-1-ene
CID 164113743

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.2.2.02,4]non-1-ene?
The IUPAC name of tricyclo[3.2.2.02,4]non-1-ene (CID 153092329) is tricyclo[3.2.2.02,4]non-1-ene.
What is the SMILES notation for tricyclo[3.2.2.02,4]non-1-ene?
The canonical SMILES for tricyclo[3.2.2.02,4]non-1-ene is C1CC2CCC1=C1CC12.
What is the InChIKey of tricyclo[3.2.2.02,4]non-1-ene?
The InChIKey is VPKGSSMNAMZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-7-4-3-6(1)8-5-9(7)8/h6,8H,1-5H2.
What are the key properties of tricyclo[3.2.2.02,4]non-1-ene?
tricyclo[3.2.2.02,4]non-1-ene has a molecular weight of 120.19 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.2.2.02,4]non-1-ene is sourced from PubChem (CID 153092329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).