2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene

C11H11Br — CID 170565054

IUPAC2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
SMILESBrc1c2c(cc3c1CC3)CCC2
InChIInChI=1S/C11H11Br/c12-11-9-3-1-2-7(9)6-8-4-5-10(8)11/h6H,1-5H2
InChIKeyXTSIMWOECQZOAJ-UHFFFAOYSA-N
MW223.11 g/mol
LogP3.04
Rot. Bonds

About 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene

2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene (PubChem CID 170565054) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene.

Molecular Properties

Compound Name2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
PubChem CID170565054
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
SMILESBrc1c2c(cc3c1CC3)CCC2
InChIInChI=1S/C11H11Br/c12-11-9-3-1-2-7(9)6-8-4-5-10(8)11/h6H,1-5H2
InChIKeyXTSIMWOECQZOAJ-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
The IUPAC name of 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene (CID 170565054) is 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene.
What is the SMILES notation for 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
The canonical SMILES for 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene is Brc1c2c(cc3c1CC3)CCC2.
What is the InChIKey of 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
The InChIKey is XTSIMWOECQZOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c12-11-9-3-1-2-7(9)6-8-4-5-10(8)11/h6H,1-5H2.
What are the key properties of 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene has a molecular weight of 223.11 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene is sourced from PubChem (CID 170565054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).