4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one

C8H10O2 — CID 548667

IUPAC4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one
SMILESO=C1CCC2CC=CC2O1
InChIInChI=1S/C8H10O2/c9-8-5-4-6-2-1-3-7(6)10-8/h1,3,6-7H,2,4-5H2
InChIKeyOILWKRCPOVWHCZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds

About 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one

4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one (PubChem CID 548667) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one.

Molecular Properties

Compound Name4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one
PubChem CID548667
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one
SMILESO=C1CCC2CC=CC2O1
InChIInChI=1S/C8H10O2/c9-8-5-4-6-2-1-3-7(6)10-8/h1,3,6-7H,2,4-5H2
InChIKeyOILWKRCPOVWHCZ-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-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 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one?
The IUPAC name of 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one (CID 548667) is 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one.
What is the SMILES notation for 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one?
The canonical SMILES for 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one is O=C1CCC2CC=CC2O1.
What is the InChIKey of 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one?
The InChIKey is OILWKRCPOVWHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8-5-4-6-2-1-3-7(6)10-8/h1,3,6-7H,2,4-5H2.
What are the key properties of 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one?
4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,7a-tetrahydro-3H-cyclopenta[b]pyran-2-one is sourced from PubChem (CID 548667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).