2,3a-dihydrocyclopenta[e][1]benzofuran-8-one

C11H8O2 — CID 66733499

IUPAC2,3a-dihydrocyclopenta[e][1]benzofuran-8-one
SMILESO=C1C=CC2=C1C1=CCOC1C=C2
InChIInChI=1S/C11H8O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h1-5,10H,6H2
InChIKeyHCOJEMWCILJTOC-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.32
Rot. Bonds

About 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one

2,3a-dihydrocyclopenta[e][1]benzofuran-8-one (PubChem CID 66733499) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one.

Molecular Properties

Compound Name2,3a-dihydrocyclopenta[e][1]benzofuran-8-one
PubChem CID66733499
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name2,3a-dihydrocyclopenta[e][1]benzofuran-8-one
SMILESO=C1C=CC2=C1C1=CCOC1C=C2
InChIInChI=1S/C11H8O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h1-5,10H,6H2
InChIKeyHCOJEMWCILJTOC-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one?
The IUPAC name of 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one (CID 66733499) is 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one.
What is the SMILES notation for 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one?
The canonical SMILES for 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one is O=C1C=CC2=C1C1=CCOC1C=C2.
What is the InChIKey of 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one?
The InChIKey is HCOJEMWCILJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h1-5,10H,6H2.
What are the key properties of 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one?
2,3a-dihydrocyclopenta[e][1]benzofuran-8-one has a molecular weight of 172.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dihydrocyclopenta[e][1]benzofuran-8-one is sourced from PubChem (CID 66733499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).