(7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one

C15H13BrO — CID 87059584

IUPAC(7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one
SMILESO=C1CC=CCC[C@]12C=c1ccc(Br)cc1=C2
InChIInChI=1S/C15H13BrO/c16-13-6-5-11-9-15(10-12(11)8-13)7-3-1-2-4-14(15)17/h1-2,5-6,8-10H,3-4,7H2/t15-/m1/s1
InChIKeyIPCTUAOKAYDGHE-OAHLLOKOSA-N
MW289.17 g/mol
LogP2.32
Rot. Bonds

About (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one

(7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one (PubChem CID 87059584) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one.

Molecular Properties

Compound Name(7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one
PubChem CID87059584
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name(7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one
SMILESO=C1CC=CCC[C@]12C=c1ccc(Br)cc1=C2
InChIInChI=1S/C15H13BrO/c16-13-6-5-11-9-15(10-12(11)8-13)7-3-1-2-4-14(15)17/h1-2,5-6,8-10H,3-4,7H2/t15-/m1/s1
InChIKeyIPCTUAOKAYDGHE-OAHLLOKOSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-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 (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one?
The IUPAC name of (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one (CID 87059584) is (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one.
What is the SMILES notation for (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one?
The canonical SMILES for (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one is O=C1CC=CCC[C@]12C=c1ccc(Br)cc1=C2.
What is the InChIKey of (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one?
The InChIKey is IPCTUAOKAYDGHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13BrO/c16-13-6-5-11-9-15(10-12(11)8-13)7-3-1-2-4-14(15)17/h1-2,5-6,8-10H,3-4,7H2/t15-/m1/s1.
What are the key properties of (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one?
(7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one has a molecular weight of 289.17 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one is sourced from PubChem (CID 87059584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).