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

C7H8O2 — CID 10909564

IUPAC(3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OC[C@H]2C=CC[C@@H]12
InChIInChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyXYRFGFRTVXZAIU-PHDIDXHHSA-N
MW124.14 g/mol
LogP0.74
Rot. Bonds

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

(3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 10909564) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID10909564
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OC[C@H]2C=CC[C@@H]12
InChIInChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyXYRFGFRTVXZAIU-PHDIDXHHSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta(b)furan-2-one
CID 643405
2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-
CID 4582877
(3aS,7aR)-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 10953585
3,3a,6,6a-Tetrahydro-2H-cyclopenta(b)furan-2-one
CID 11073412
cis-8-Oxabicyclo[4.3.0]non-3-en-9-one
CID 11768642
(3aS,7aS)-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 12234954
3a,4,7,7a-Tetrahydro-2-benzofuran-1(3h)-one
CID 265102
(3aS,6aR)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
CID 338681
3-Oxabicyclo[3.3.0]oct-6-en-2-one
CID 4371112
4-Allyl-2-oxabicyclo[3.3.0]-6-octen-3-one
CID 22959243
(3aS,7aR)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-one
CID 15620109
1,3a,6,6a-Tetrahydrocyclopenta[c]furan-3-one
CID 70113942

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (CID 10909564) is (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is O=C1OC[C@H]2C=CC[C@@H]12.
What is the InChIKey of (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is XYRFGFRTVXZAIU-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
(3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 124.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 10909564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).