(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione

C7H8O3 — CID 10920594

IUPAC(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
SMILESO=C1OC(=O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2/t4-,5+
InChIKeyNMSRALOLNIBERV-SYDPRGILSA-N
MW140.14 g/mol
LogP0.49
Rot. Bonds

About (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione

(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione (PubChem CID 10920594) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione.

Molecular Properties

Compound Name(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
PubChem CID10920594
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
SMILESO=C1OC(=O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2/t4-,5+
InChIKeyNMSRALOLNIBERV-SYDPRGILSA-N
XLogP0.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione 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 (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
The IUPAC name of (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione (CID 10920594) is (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione.
What is the SMILES notation for (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
The canonical SMILES for (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione is O=C1OC(=O)[C@@H]2CCC[C@H]12.
What is the InChIKey of (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
The InChIKey is NMSRALOLNIBERV-SYDPRGILSA-N. The full InChI is InChI=1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2/t4-,5+.
What are the key properties of (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione?
(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione has a molecular weight of 140.14 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione is sourced from PubChem (CID 10920594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).