5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one

C13H11BrO — CID 155929540

IUPAC5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
SMILESO=C1c2ccc(Br)cc2CC12CC=CC2
InChIInChI=1S/C13H11BrO/c14-10-3-4-11-9(7-10)8-13(12(11)15)5-1-2-6-13/h1-4,7H,5-6,8H2
InChIKeyCKKTWFSCQOUZKW-UHFFFAOYSA-N
MW263.13 g/mol
LogP3.52
Rot. Bonds

About 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one

5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one (PubChem CID 155929540) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one.

Molecular Properties

Compound Name5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
PubChem CID155929540
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
SMILESO=C1c2ccc(Br)cc2CC12CC=CC2
InChIInChI=1S/C13H11BrO/c14-10-3-4-11-9(7-10)8-13(12(11)15)5-1-2-6-13/h1-4,7H,5-6,8H2
InChIKeyCKKTWFSCQOUZKW-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one
CID 23584321
(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile
CID 175573984
(2S)-5-bromospiro[3H-indene-2,3'-oxolane]-1,2'-dione
CID 56642761
methyl (2S)-6-bromo-2-[(2S)-6-bromo-2-methoxycarbonyl-3-oxo-1H-inden-2-yl]-3-oxo-1H-indene-2-carboxylate
CID 164686557
6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 58197205
6'-bromospiro[2,4-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-one
CID 58197583
(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
CID 16754305
6-bromospiro[2,4-dihydroisoquinoline-3,4'-oxane]-1-one
CID 175809702
5-bromo-2,3-dihydroinden-1-one
CID 161015201
5-bromo-1'-phenylspiro[3H-indene-2,3'-pyrrolidine]-1,2'-dione
CID 132511016
2,7-dibromophenanthrene-9,10-dione
CID 159425513
6'-bromospiro[1,2,5,6,8,9-hexahydrobenzo[7]annulene-7,2'-3H-indene]-1'-one
CID 66584883

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one?
The IUPAC name of 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one (CID 155929540) is 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one.
What is the SMILES notation for 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one?
The canonical SMILES for 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one is O=C1c2ccc(Br)cc2CC12CC=CC2.
What is the InChIKey of 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one?
The InChIKey is CKKTWFSCQOUZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c14-10-3-4-11-9(7-10)8-13(12(11)15)5-1-2-6-13/h1-4,7H,5-6,8H2.
What are the key properties of 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one?
5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one has a molecular weight of 263.13 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one is sourced from PubChem (CID 155929540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).