2-bromo-5,6-dihydrocyclopenta[b]furan-4-one

C7H5BrO2 — CID 82397376

IUPAC2-bromo-5,6-dihydrocyclopenta[b]furan-4-one
SMILESO=C1CCc2oc(Br)cc21
InChIInChI=1S/C7H5BrO2/c8-7-3-4-5(9)1-2-6(4)10-7/h3H,1-2H2
InChIKeyDSLXGANXQHNJKP-UHFFFAOYSA-N
MW201.02 g/mol
LogP2.17
Rot. Bonds

About 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one

2-bromo-5,6-dihydrocyclopenta[b]furan-4-one (PubChem CID 82397376) has the molecular formula C7H5BrO2 and a molecular weight of 201.02 g/mol. Its IUPAC name is 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one.

Molecular Properties

Compound Name2-bromo-5,6-dihydrocyclopenta[b]furan-4-one
PubChem CID82397376
Molecular FormulaC7H5BrO2
Molecular Weight201.02 g/mol
Exact Mass199.95
IUPAC Name2-bromo-5,6-dihydrocyclopenta[b]furan-4-one
SMILESO=C1CCc2oc(Br)cc21
InChIInChI=1S/C7H5BrO2/c8-7-3-4-5(9)1-2-6(4)10-7/h3H,1-2H2
InChIKeyDSLXGANXQHNJKP-UHFFFAOYSA-N
XLogP2.17
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one?
The IUPAC name of 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one (CID 82397376) is 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one.
What is the SMILES notation for 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one?
The canonical SMILES for 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one is O=C1CCc2oc(Br)cc21.
What is the InChIKey of 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one?
The InChIKey is DSLXGANXQHNJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2/c8-7-3-4-5(9)1-2-6(4)10-7/h3H,1-2H2.
What are the key properties of 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one?
2-bromo-5,6-dihydrocyclopenta[b]furan-4-one has a molecular weight of 201.02 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dihydrocyclopenta[b]furan-4-one is sourced from PubChem (CID 82397376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).