4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one

C8H10O2 — CID 54549475

IUPAC4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one
SMILESO=C1CCC2CCOC=C12
InChIInChI=1S/C8H10O2/c9-8-2-1-6-3-4-10-5-7(6)8/h5-6H,1-4H2
InChIKeyZIWPQHNMPZBHOU-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds

About 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one

4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one (PubChem CID 54549475) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one.

Molecular Properties

Compound Name4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one
PubChem CID54549475
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one
SMILESO=C1CCC2CCOC=C12
InChIInChI=1S/C8H10O2/c9-8-2-1-6-3-4-10-5-7(6)8/h5-6H,1-4H2
InChIKeyZIWPQHNMPZBHOU-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

Analyze 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-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,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one?
The IUPAC name of 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one (CID 54549475) is 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one.
What is the SMILES notation for 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one?
The canonical SMILES for 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one is O=C1CCC2CCOC=C12.
What is the InChIKey of 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one?
The InChIKey is ZIWPQHNMPZBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8-2-1-6-3-4-10-5-7(6)8/h5-6H,1-4H2.
What are the key properties of 4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one?
4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-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,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one is sourced from PubChem (CID 54549475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).