2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one

C11H10O2 — CID 154155137

IUPAC2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one
SMILESO=C1CCC2OC3C=CC=CC3=C12
InChIInChI=1S/C11H10O2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4,9-10H,5-6H2
InChIKeyWQSWJEVOSUWGGJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.54
Rot. Bonds

About 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one

2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one (PubChem CID 154155137) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one.

Molecular Properties

Compound Name2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one
PubChem CID154155137
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one
SMILESO=C1CCC2OC3C=CC=CC3=C12
InChIInChI=1S/C11H10O2/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4,9-10H,5-6H2
InChIKeyWQSWJEVOSUWGGJ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one?
The IUPAC name of 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one (CID 154155137) is 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one.
What is the SMILES notation for 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one?
The canonical SMILES for 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one is O=C1CCC2OC3C=CC=CC3=C12.
What is the InChIKey of 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one?
The InChIKey is WQSWJEVOSUWGGJ-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/h1-4,9-10H,5-6H2.
What are the key properties of 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one?
2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4a-tetrahydrocyclopenta[b][1]benzofuran-1-one is sourced from PubChem (CID 154155137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).