(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C12H14 — CID 135034885

IUPAC(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C[C@@H]1CC[C@H]2C1
InChIInChI=1S/C12H14/c1-2-4-12-10(3-1)7-9-5-6-11(12)8-9/h1-4,9,11H,5-8H2/t9-,11-/m0/s1
InChIKeyVFBAUHRKCQUDED-ONGXEEELSA-N
MW158.24 g/mol
LogP3.13
Rot. Bonds

About (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene

(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 135034885) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID135034885
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)C[C@@H]1CC[C@H]2C1
InChIInChI=1S/C12H14/c1-2-4-12-10(3-1)7-9-5-6-11(12)8-9/h1-4,9,11H,5-8H2/t9-,11-/m0/s1
InChIKeyVFBAUHRKCQUDED-ONGXEEELSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
CID 59079694
11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
CID 70637124
11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
CID 70637123
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
CID 93492521
8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene
CID 154876558
3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 582249
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1R,2S,10R,11S,12R,17S)-18-oxapentacyclo[9.6.1.02,10.03,8.012,17]octadeca-3,5,7-triene
CID 125180810

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 135034885) is (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene is c1ccc2c(c1)C[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is VFBAUHRKCQUDED-ONGXEEELSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-12-10(3-1)7-9-5-6-11(12)8-9/h1-4,9,11H,5-8H2/t9-,11-/m0/s1.
What are the key properties of (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 158.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 135034885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).