(1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene

C9H12 — CID 134900896

IUPAC(1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene
SMILESC1CC2=C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C9H12/c1-2-7-5-6(1)8-3-4-9(7)8/h6-7H,1-5H2/t6-,7+
InChIKeyGKYMZAJXGNOYBX-KNVOCYPGSA-N
MW120.19 g/mol
LogP2.51
Rot. Bonds

About (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene

(1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene (PubChem CID 134900896) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene.

Molecular Properties

Compound Name(1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene
PubChem CID134900896
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene
SMILESC1CC2=C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C9H12/c1-2-7-5-6(1)8-3-4-9(7)8/h6-7H,1-5H2/t6-,7+
InChIKeyGKYMZAJXGNOYBX-KNVOCYPGSA-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

Santene
CID 10720
(1R,4S)-2,3-Dimethylbicyclo(2.2.1)hept-2-ene
CID 11457687
Tricyclo[4.2.1.02,5]non-2(5)-ene
CID 21122398
2,6-Dimethylbicyclo[2.2.1]heptene
CID 56987193
1,2,3,4,5,6,7,8-Octahydro-4,7-methanoazulene
CID 12898252
Tricyclo[5.3.0.0(2.6)]deca-1(7)-ene
CID 145003
6-Methylbicyclo[3.2.0]hept-1(5)-ene
CID 20379043
2-Ethyl-3-methylbicyclo[2.2.1]hept-2-ene
CID 22227605
Tricyclo[4.2.1.02,5]non-1-ene
CID 23434452
7-Ethylidenetricyclo[4.2.1.02,5]non-2(5)-ene
CID 53701443
Tricyclo[4.2.1.02,5]nona-2(5),7-diene
CID 53730406
3-Methyltricyclo[4.2.1.02,5]non-2(5)-ene
CID 53810781

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene?
The IUPAC name of (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene (CID 134900896) is (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene.
What is the SMILES notation for (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene?
The canonical SMILES for (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene is C1CC2=C1[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene?
The InChIKey is GKYMZAJXGNOYBX-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H12/c1-2-7-5-6(1)8-3-4-9(7)8/h6-7H,1-5H2/t6-,7+.
What are the key properties of (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene?
(1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-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 (1S,6R)-tricyclo[4.2.1.02,5]non-2(5)-ene is sourced from PubChem (CID 134900896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).