(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one

C20H16O — CID 134919081

IUPAC(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one
SMILESO=C1[C@@H]2CCC=C[C@@H]2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C20H16O/c21-19-15-9-3-6-12-18(15)20(19)16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-2,4-8,10-12,15,18H,3,9H2/t15-,18+/m1/s1
InChIKeyXYWVUKZDIYFLNW-QAPCUYQASA-N
MW272.35 g/mol
LogP4.12
Rot. Bonds

About (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one

(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one (PubChem CID 134919081) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one.

Molecular Properties

Compound Name(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one
PubChem CID134919081
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one
SMILESO=C1[C@@H]2CCC=C[C@@H]2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C20H16O/c21-19-15-9-3-6-12-18(15)20(19)16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-2,4-8,10-12,15,18H,3,9H2/t15-,18+/m1/s1
InChIKeyXYWVUKZDIYFLNW-QAPCUYQASA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one?
The IUPAC name of (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one (CID 134919081) is (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one.
What is the SMILES notation for (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one?
The canonical SMILES for (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one is O=C1[C@@H]2CCC=C[C@@H]2C12c1ccccc1-c1ccccc12.
What is the InChIKey of (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one?
The InChIKey is XYWVUKZDIYFLNW-QAPCUYQASA-N. The full InChI is InChI=1S/C20H16O/c21-19-15-9-3-6-12-18(15)20(19)16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-2,4-8,10-12,15,18H,3,9H2/t15-,18+/m1/s1.
What are the key properties of (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one?
(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one has a molecular weight of 272.35 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one is sourced from PubChem (CID 134919081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).