(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione

C7H6O4 — CID 24813368

IUPAC(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione
SMILESO=C1C[C@@H]2C(=O)OC(=O)[C@@H]2C1
InChIInChI=1S/C7H6O4/c8-3-1-4-5(2-3)7(10)11-6(4)9/h4-5H,1-2H2/t4-,5+
InChIKeyFFLVRYHCHDGDPK-SYDPRGILSA-N
MW154.12 g/mol
LogP-0.33
Rot. Bonds

About (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione

(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione (PubChem CID 24813368) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione.

Molecular Properties

Compound Name(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione
PubChem CID24813368
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione
SMILESO=C1C[C@@H]2C(=O)OC(=O)[C@@H]2C1
InChIInChI=1S/C7H6O4/c8-3-1-4-5(2-3)7(10)11-6(4)9/h4-5H,1-2H2/t4-,5+
InChIKeyFFLVRYHCHDGDPK-SYDPRGILSA-N
XLogP-0.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrahydro-1H-cyclopenta(c)furan-1,3(3aH)-dione
CID 98977
cis-tetrahydro-1H-cyclopenta[c]furan-1,3(4H)-dione
CID 10920594
1H-Cyclopenta[c]furan-1,4(3H)-dione, tetrahydro-
CID 330274
3-Oxabicyclo[3.3.0]octane-2,7-dione
CID 543141
(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione
CID 10909643
Ctk2I3105
CID 11073507
(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
CID 15627441
3a,4,6,6a-Tetrahydrocyclopenta[c]furan-1,3,5-trione
CID 22660457
(3aS,6aR)-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
CID 60032897
3a,6a-Dihydrocyclopenta[c]furan-1,3,4,6-tetrone
CID 87268939
(3aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
CID 87757499
(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
CID 87849203

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione?
The IUPAC name of (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione (CID 24813368) is (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione.
What is the SMILES notation for (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione?
The canonical SMILES for (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione is O=C1C[C@@H]2C(=O)OC(=O)[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione?
The InChIKey is FFLVRYHCHDGDPK-SYDPRGILSA-N. The full InChI is InChI=1S/C7H6O4/c8-3-1-4-5(2-3)7(10)11-6(4)9/h4-5H,1-2H2/t4-,5+.
What are the key properties of (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione?
(3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione has a molecular weight of 154.12 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a,4,6,6a-tetrahydrocyclopenta[c]furan-1,3,5-trione is sourced from PubChem (CID 24813368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).