1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C12H11Br — CID 131865604

IUPAC1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC1=CC2CC1(Br)c1ccccc12
InChIInChI=1S/C12H11Br/c1-8-6-9-7-12(8,13)11-5-3-2-4-10(9)11/h2-6,9H,7H2,1H3
InChIKeyFJMIVEVUMDBVDK-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.72
Rot. Bonds

About 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 131865604) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID131865604
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCC1=CC2CC1(Br)c1ccccc12
InChIInChI=1S/C12H11Br/c1-8-6-9-7-12(8,13)11-5-3-2-4-10(9)11/h2-6,9H,7H2,1H3
InChIKeyFJMIVEVUMDBVDK-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 131865604) is 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is CC1=CC2CC1(Br)c1ccccc12.
What is the InChIKey of 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is FJMIVEVUMDBVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br/c1-8-6-9-7-12(8,13)11-5-3-2-4-10(9)11/h2-6,9H,7H2,1H3.
What are the key properties of 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 235.12 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-methyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 131865604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).