3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one

C11H10O2 — CID 69479904

IUPAC3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one
SMILESO=C1C=CC2OC3C=CC=CC3C12
InChIInChI=1S/C11H10O2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-7,9-11H
InChIKeyUHPQQAGBEDTTGY-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.25
Rot. Bonds

About 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one

3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one (PubChem CID 69479904) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one.

Molecular Properties

Compound Name3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one
PubChem CID69479904
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one
SMILESO=C1C=CC2OC3C=CC=CC3C12
InChIInChI=1S/C11H10O2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-7,9-11H
InChIKeyUHPQQAGBEDTTGY-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-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 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one?
The IUPAC name of 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one (CID 69479904) is 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one.
What is the SMILES notation for 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one?
The canonical SMILES for 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one is O=C1C=CC2OC3C=CC=CC3C12.
What is the InChIKey of 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one?
The InChIKey is UHPQQAGBEDTTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-7,9-11H.
What are the key properties of 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one?
3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4a,8a,8b-tetrahydrocyclopenta[b][1]benzofuran-1-one is sourced from PubChem (CID 69479904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).