2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

C11H8Cl2O2 — CID 12920439

IUPAC2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C(Cl)=CC(=O)C2(Cl)C3C=CC(C3)C12
InChIInChI=1S/C11H8Cl2O2/c12-7-4-8(14)11(13)6-2-1-5(3-6)9(11)10(7)15/h1-2,4-6,9H,3H2
InChIKeyAIEBEDRRFSXMNE-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.06
Rot. Bonds

About 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (PubChem CID 12920439) has the molecular formula C11H8Cl2O2 and a molecular weight of 243.09 g/mol. Its IUPAC name is 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
PubChem CID12920439
Molecular FormulaC11H8Cl2O2
Molecular Weight243.09 g/mol
Exact Mass241.99
IUPAC Name2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C(Cl)=CC(=O)C2(Cl)C3C=CC(C3)C12
InChIInChI=1S/C11H8Cl2O2/c12-7-4-8(14)11(13)6-2-1-5(3-6)9(11)10(7)15/h1-2,4-6,9H,3H2
InChIKeyAIEBEDRRFSXMNE-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,6S,7R)-2-chloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98518230
(1S,2S,6R,7R)-5-(benzylamino)-4,6-dichlorotricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 101168414
(1S,2R,7R,8R)-4-chlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 11908484
(1S,2S,7R,8R)-2,4,5-tris(methylsulfanyl)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 15642721
(1S,8R)-4,5-dimethoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 11459300
(1R,2R,6R,7S)-5-oxotricyclo[5.2.1.02,6]dec-8-ene-2-carboxylic acid
CID 10921361
(1S,2S,6S,7R)-2-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98044048
(1S,2S,6R,7R)-6-bromotricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 10955230
(1R,2S,10S,11R)-2-bromotetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7,12-tetraen-9-one
CID 98557730
(1R,2R,7R,8R)-2,4,5,7-tetrachlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 98269507
4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 5067256
(1R,2R,7R,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 18556027

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The IUPAC name of 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (CID 12920439) is 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.
What is the SMILES notation for 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The canonical SMILES for 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is O=C1C(Cl)=CC(=O)C2(Cl)C3C=CC(C3)C12.
What is the InChIKey of 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The InChIKey is AIEBEDRRFSXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O2/c12-7-4-8(14)11(13)6-2-1-5(3-6)9(11)10(7)15/h1-2,4-6,9H,3H2.
What are the key properties of 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione has a molecular weight of 243.09 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is sourced from PubChem (CID 12920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).