2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine

C8H10BrNO — CID 83679561

IUPAC2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
SMILESBrc1cc2c(o1)CCCNC2
InChIInChI=1S/C8H10BrNO/c9-8-4-6-5-10-3-1-2-7(6)11-8/h4,10H,1-3,5H2
InChIKeyOZFQEKNJQJEZKK-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.08
Rot. Bonds

About 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine

2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine (PubChem CID 83679561) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine.

Molecular Properties

Compound Name2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
PubChem CID83679561
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
SMILESBrc1cc2c(o1)CCCNC2
InChIInChI=1S/C8H10BrNO/c9-8-4-6-5-10-3-1-2-7(6)11-8/h4,10H,1-3,5H2
InChIKeyOZFQEKNJQJEZKK-UHFFFAOYSA-N
XLogP2.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The IUPAC name of 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine (CID 83679561) is 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine.
What is the SMILES notation for 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The canonical SMILES for 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine is Brc1cc2c(o1)CCCNC2.
What is the InChIKey of 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The InChIKey is OZFQEKNJQJEZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c9-8-4-6-5-10-3-1-2-7(6)11-8/h4,10H,1-3,5H2.
What are the key properties of 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine has a molecular weight of 216.08 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine is sourced from PubChem (CID 83679561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).