3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C10H7BrO — CID 15710109

IUPAC3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESBrc1cccc2c1C1C=CC2O1
InChIInChI=1S/C10H7BrO/c11-7-3-1-2-6-8-4-5-9(12-8)10(6)7/h1-5,8-9H
InChIKeyNKAREUNRBHJQHM-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.13
Rot. Bonds

About 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 15710109) has the molecular formula C10H7BrO and a molecular weight of 223.07 g/mol. Its IUPAC name is 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID15710109
Molecular FormulaC10H7BrO
Molecular Weight223.07 g/mol
Exact Mass221.97
IUPAC Name3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESBrc1cccc2c1C1C=CC2O1
InChIInChI=1S/C10H7BrO/c11-7-3-1-2-6-8-4-5-9(12-8)10(6)7/h1-5,8-9H
InChIKeyNKAREUNRBHJQHM-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 15710109) is 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is Brc1cccc2c1C1C=CC2O1.
What is the InChIKey of 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is NKAREUNRBHJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO/c11-7-3-1-2-6-8-4-5-9(12-8)10(6)7/h1-5,8-9H.
What are the key properties of 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 223.07 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 15710109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).