6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one

C8H8O3 — CID 101409158

IUPAC6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one
SMILESO=C1C=CC2=CC(O)CC2O1
InChIInChI=1S/C8H8O3/c9-6-3-5-1-2-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2
InChIKeyOILJPEOTAOIWTL-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.16
Rot. Bonds

About 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one

6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one (PubChem CID 101409158) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one.

Molecular Properties

Compound Name6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one
PubChem CID101409158
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one
SMILESO=C1C=CC2=CC(O)CC2O1
InChIInChI=1S/C8H8O3/c9-6-3-5-1-2-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2
InChIKeyOILJPEOTAOIWTL-UHFFFAOYSA-N
XLogP0.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one?
The IUPAC name of 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one (CID 101409158) is 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one.
What is the SMILES notation for 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one?
The canonical SMILES for 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one is O=C1C=CC2=CC(O)CC2O1.
What is the InChIKey of 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one?
The InChIKey is OILJPEOTAOIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-6-3-5-1-2-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2.
What are the key properties of 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one?
6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one has a molecular weight of 152.15 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one is sourced from PubChem (CID 101409158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).