(3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

C10H14O3 — CID 23631137

IUPAC(3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC(=O)[C@H]1C[C@H]2CC(=O)O[C@@]2(C)C1
InChIInChI=1S/C10H14O3/c1-6(11)7-3-8-4-9(12)13-10(8,2)5-7/h7-8H,3-5H2,1-2H3/t7-,8-,10-/m0/s1
InChIKeyVFGMFVWXTPQHRD-NRPADANISA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds1

About (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

(3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 23631137) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID23631137
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC(=O)[C@H]1C[C@H]2CC(=O)O[C@@]2(C)C1
InChIInChI=1S/C10H14O3/c1-6(11)7-3-8-4-9(12)13-10(8,2)5-7/h7-8H,3-5H2,1-2H3/t7-,8-,10-/m0/s1
InChIKeyVFGMFVWXTPQHRD-NRPADANISA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

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Related Compounds

(1R,2R,3S,6R,8R,9R)-2,3,6,8-tetraethyl-5-oxatricyclo[4.2.1.03,9]nonan-4-one
CID 134827981
(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 10909649
(3aS,6R,6aR)-3,3,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
CID 11217473
Hexahydro-6,6,6a-trimethyl-2H-cyclopenta(b)furan-2-one
CID 110701
Camphorlactone
CID 548983
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276
(3aR,6R,6aS)-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one
CID 12723402
(1R,5R)-2-oxatricyclo[6.3.0.01,5]undecan-3-one
CID 10419540
(3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 11182851
(+/-)-(3aR*,6aS*)-3,3-Dimethylhexahydrocyclopenta[c]furan-1-one
CID 13468751
cis-3,3-Dimethyl-3,3a,4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-1,6-dione
CID 91057365
3-(2-Oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 135004916

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 23631137) is (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is CC(=O)[C@H]1C[C@H]2CC(=O)O[C@@]2(C)C1.
What is the InChIKey of (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is VFGMFVWXTPQHRD-NRPADANISA-N. The full InChI is InChI=1S/C10H14O3/c1-6(11)7-3-8-4-9(12)13-10(8,2)5-7/h7-8H,3-5H2,1-2H3/t7-,8-,10-/m0/s1.
What are the key properties of (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
(3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-5-acetyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 23631137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).