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

C12H11BrO3 — CID 23584321

IUPAC5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one
SMILESO=C1c2ccc(Br)cc2CC12COCOC2
InChIInChI=1S/C12H11BrO3/c13-9-1-2-10-8(3-9)4-12(11(10)14)5-15-7-16-6-12/h1-3H,4-7H2
InChIKeyLXJOXJABKHHDSV-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.18
Rot. Bonds

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

5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one (PubChem CID 23584321) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one
PubChem CID23584321
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one
SMILESO=C1c2ccc(Br)cc2CC12COCOC2
InChIInChI=1S/C12H11BrO3/c13-9-1-2-10-8(3-9)4-12(11(10)14)5-15-7-16-6-12/h1-3H,4-7H2
InChIKeyLXJOXJABKHHDSV-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromospiro[3H-indene-2,4'-cyclopentene]-1-one
CID 155929540
(2S)-5-bromospiro[3H-indene-2,3'-oxolane]-1,2'-dione
CID 56642761
6-bromospiro[2,4-dihydroisoquinoline-3,4'-oxane]-1-one
CID 175809702
(2R)-6-bromo-2-fluoro-3-oxo-1H-indene-2-carbonitrile
CID 175573984
5'-bromospiro[1,3-dioxane-5,3'-2-benzofuran]-1'-one
CID 172764217
6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
CID 135016415
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[2,3-dihydroisoquinoline-4,3'-oxetane]-1-one
CID 163371704
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
5-bromo-2,3-dihydroinden-1-one
CID 161015201

Frequently Asked Questions

What is the IUPAC name of 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one?
The IUPAC name of 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one (CID 23584321) is 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one.
What is the SMILES notation for 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one?
The canonical SMILES for 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one is O=C1c2ccc(Br)cc2CC12COCOC2.
What is the InChIKey of 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one?
The InChIKey is LXJOXJABKHHDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c13-9-1-2-10-8(3-9)4-12(11(10)14)5-15-7-16-6-12/h1-3H,4-7H2.
What are the key properties of 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one?
5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one has a molecular weight of 283.12 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromospiro[1,3-dioxane-5,2'-3H-indene]-1'-one is sourced from PubChem (CID 23584321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).