(1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione

C12H14O2 — CID 98514939

IUPAC(1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione
SMILESO=C1CCCC[C@H]2[C@H]1[C@@H]1C=C[C@@H]2C1=O
InChIInChI=1S/C12H14O2/c13-10-4-2-1-3-7-8-5-6-9(11(7)10)12(8)14/h5-9,11H,1-4H2/t7-,8+,9+,11+/m1/s1
InChIKeyOAEPJCVWONKVHL-HJGDQZAQSA-N
MW190.24 g/mol
LogP1.75
Rot. Bonds

About (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione

(1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione (PubChem CID 98514939) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione.

Molecular Properties

Compound Name(1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione
PubChem CID98514939
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione
SMILESO=C1CCCC[C@H]2[C@H]1[C@@H]1C=C[C@@H]2C1=O
InChIInChI=1S/C12H14O2/c13-10-4-2-1-3-7-8-5-6-9(11(7)10)12(8)14/h5-9,11H,1-4H2/t7-,8+,9+,11+/m1/s1
InChIKeyOAEPJCVWONKVHL-HJGDQZAQSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione?
The IUPAC name of (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione (CID 98514939) is (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione.
What is the SMILES notation for (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione?
The canonical SMILES for (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione is O=C1CCCC[C@H]2[C@H]1[C@@H]1C=C[C@@H]2C1=O.
What is the InChIKey of (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione?
The InChIKey is OAEPJCVWONKVHL-HJGDQZAQSA-N. The full InChI is InChI=1S/C12H14O2/c13-10-4-2-1-3-7-8-5-6-9(11(7)10)12(8)14/h5-9,11H,1-4H2/t7-,8+,9+,11+/m1/s1.
What are the key properties of (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione?
(1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione has a molecular weight of 190.24 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,8S,9S)-tricyclo[7.2.1.02,8]dodec-10-ene-3,12-dione is sourced from PubChem (CID 98514939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).