(3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

C7H7BrO2 — CID 22815899

IUPAC(3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@H]2CC=C(Br)[C@H]2O1
InChIInChI=1S/C7H7BrO2/c8-5-2-1-4-3-6(9)10-7(4)5/h2,4,7H,1,3H2/t4-,7+/m1/s1
InChIKeyGQEAJXBSQGHGOK-FBCQKBJTSA-N
MW203.03 g/mol
LogP1.60
Rot. Bonds

About (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

(3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 22815899) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID22815899
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name(3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@H]2CC=C(Br)[C@H]2O1
InChIInChI=1S/C7H7BrO2/c8-5-2-1-4-3-6(9)10-7(4)5/h2,4,7H,1,3H2/t4-,7+/m1/s1
InChIKeyGQEAJXBSQGHGOK-FBCQKBJTSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one (CID 22815899) is (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one is O=C1C[C@H]2CC=C(Br)[C@H]2O1.
What is the InChIKey of (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is GQEAJXBSQGHGOK-FBCQKBJTSA-N. The full InChI is InChI=1S/C7H7BrO2/c8-5-2-1-4-3-6(9)10-7(4)5/h2,4,7H,1,3H2/t4-,7+/m1/s1.
What are the key properties of (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
(3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 203.03 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6-bromo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 22815899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).