(1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one

C9H8O3 — CID 146169140

IUPAC(1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@H]2[C@@H]1[C@@H]2c1ccoc1
InChIInChI=1S/C9H8O3/c10-9-8-6(4-12-9)7(8)5-1-2-11-3-5/h1-3,6-8H,4H2/t6-,7-,8-/m1/s1
InChIKeyPVYJDNOOTFWPCG-BWZBUEFSSA-N
MW164.16 g/mol
LogP1.17
Rot. Bonds1

About (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one

(1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 146169140) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID146169140
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@H]2[C@@H]1[C@@H]2c1ccoc1
InChIInChI=1S/C9H8O3/c10-9-8-6(4-12-9)7(8)5-1-2-11-3-5/h1-3,6-8H,4H2/t6-,7-,8-/m1/s1
InChIKeyPVYJDNOOTFWPCG-BWZBUEFSSA-N
XLogP1.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one (CID 146169140) is (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one is O=C1OC[C@H]2[C@@H]1[C@@H]2c1ccoc1.
What is the InChIKey of (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is PVYJDNOOTFWPCG-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H8O3/c10-9-8-6(4-12-9)7(8)5-1-2-11-3-5/h1-3,6-8H,4H2/t6-,7-,8-/m1/s1.
What are the key properties of (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one?
(1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 164.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-6-(furan-3-yl)-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 146169140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).