2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole

C6H6BrNS — CID 96618759

IUPAC2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESBrc1cc2c(s1)NCC2
InChIInChI=1S/C6H6BrNS/c7-5-3-4-1-2-8-6(4)9-5/h3,8H,1-2H2
InChIKeyODEVDHUWXJXMTM-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.48
Rot. Bonds

About 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole

2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole (PubChem CID 96618759) has the molecular formula C6H6BrNS and a molecular weight of 204.09 g/mol. Its IUPAC name is 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole
PubChem CID96618759
Molecular FormulaC6H6BrNS
Molecular Weight204.09 g/mol
Exact Mass202.94
IUPAC Name2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole
SMILESBrc1cc2c(s1)NCC2
InChIInChI=1S/C6H6BrNS/c7-5-3-4-1-2-8-6(4)9-5/h3,8H,1-2H2
InChIKeyODEVDHUWXJXMTM-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.48
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-dihydro-4H-thieno[2,3-b]pyrrole?
The IUPAC name of 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole (CID 96618759) is 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The canonical SMILES for 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole is Brc1cc2c(s1)NCC2.
What is the InChIKey of 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
The InChIKey is ODEVDHUWXJXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNS/c7-5-3-4-1-2-8-6(4)9-5/h3,8H,1-2H2.
What are the key properties of 2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole?
2-bromo-5,6-dihydro-4H-thieno[2,3-b]pyrrole has a molecular weight of 204.09 g/mol, XLogP of 2.48, 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-dihydro-4H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 96618759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).