(3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione

C11H14O3 — CID 102274849

IUPAC(3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione
SMILESO=C1C[C@@H]2COC(=O)[C@@]23CCCC[C@@H]13
InChIInChI=1S/C11H14O3/c12-9-5-7-6-14-10(13)11(7)4-2-1-3-8(9)11/h7-8H,1-6H2/t7-,8+,11+/m1/s1
InChIKeyGRZYBKKCOCVVIQ-FYBVGQRMSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds

About (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione

(3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione (PubChem CID 102274849) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione.

Molecular Properties

Compound Name(3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione
PubChem CID102274849
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione
SMILESO=C1C[C@@H]2COC(=O)[C@@]23CCCC[C@@H]13
InChIInChI=1S/C11H14O3/c12-9-5-7-6-14-10(13)11(7)4-2-1-3-8(9)11/h7-8H,1-6H2/t7-,8+,11+/m1/s1
InChIKeyGRZYBKKCOCVVIQ-FYBVGQRMSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione?
The IUPAC name of (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione (CID 102274849) is (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione.
What is the SMILES notation for (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione?
The canonical SMILES for (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione is O=C1C[C@@H]2COC(=O)[C@@]23CCCC[C@@H]13.
What is the InChIKey of (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione?
The InChIKey is GRZYBKKCOCVVIQ-FYBVGQRMSA-N. The full InChI is InChI=1S/C11H14O3/c12-9-5-7-6-14-10(13)11(7)4-2-1-3-8(9)11/h7-8H,1-6H2/t7-,8+,11+/m1/s1.
What are the key properties of (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione?
(3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione has a molecular weight of 194.23 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aR,9aS)-3,3a,4,5a,6,7,8,9-octahydroindeno[3,3a-c]furan-1,5-dione is sourced from PubChem (CID 102274849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).