2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione

C11H12O3 — CID 11550143

IUPAC2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione
SMILESO=C1CCCC2=C1OC1C(=O)CCC21
InChIInChI=1S/C11H12O3/c12-8-3-1-2-6-7-4-5-9(13)11(7)14-10(6)8/h7,11H,1-5H2
InChIKeyWNIXUGPUVUSRAV-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.37
Rot. Bonds

About 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione

2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione (PubChem CID 11550143) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione.

Molecular Properties

Compound Name2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione
PubChem CID11550143
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione
SMILESO=C1CCCC2=C1OC1C(=O)CCC21
InChIInChI=1S/C11H12O3/c12-8-3-1-2-6-7-4-5-9(13)11(7)14-10(6)8/h7,11H,1-5H2
InChIKeyWNIXUGPUVUSRAV-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione?
The IUPAC name of 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione (CID 11550143) is 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione.
What is the SMILES notation for 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione?
The canonical SMILES for 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione is O=C1CCCC2=C1OC1C(=O)CCC21.
What is the InChIKey of 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione?
The InChIKey is WNIXUGPUVUSRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-8-3-1-2-6-7-4-5-9(13)11(7)14-10(6)8/h7,11H,1-5H2.
What are the key properties of 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione?
2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione has a molecular weight of 192.21 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,6,7,8,8b-hexahydro-1H-cyclopenta[b][1]benzofuran-3,5-dione is sourced from PubChem (CID 11550143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).