(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one

C11H10O2 — CID 27396546

IUPAC(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
SMILESO=C1C[C@H]2Cc3ccccc3[C@H]2O1
InChIInChI=1S/C11H10O2/c12-10-6-8-5-7-3-1-2-4-9(7)11(8)13-10/h1-4,8,11H,5-6H2/t8-,11+/m1/s1
InChIKeyHANWJNRVRHJJLC-KCJUWKMLSA-N
MW174.20 g/mol
LogP1.85
Rot. Bonds

About (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one

(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one (PubChem CID 27396546) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one.

Molecular Properties

Compound Name(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
PubChem CID27396546
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one
SMILESO=C1C[C@H]2Cc3ccccc3[C@H]2O1
InChIInChI=1S/C11H10O2/c12-10-6-8-5-7-3-1-2-4-9(7)11(8)13-10/h1-4,8,11H,5-6H2/t8-,11+/m1/s1
InChIKeyHANWJNRVRHJJLC-KCJUWKMLSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The IUPAC name of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one (CID 27396546) is (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one.
What is the SMILES notation for (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The canonical SMILES for (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one is O=C1C[C@H]2Cc3ccccc3[C@H]2O1.
What is the InChIKey of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
The InChIKey is HANWJNRVRHJJLC-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H10O2/c12-10-6-8-5-7-3-1-2-4-9(7)11(8)13-10/h1-4,8,11H,5-6H2/t8-,11+/m1/s1.
What are the key properties of (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one?
(3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one is sourced from PubChem (CID 27396546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).