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

C11H10BrNO3 — CID 711593

IUPAC5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2C12OCCCO2
InChIInChI=1S/C11H10BrNO3/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyYWHABBBYNDXUIC-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.99
Rot. Bonds

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

5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 711593) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID711593
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2C12OCCCO2
InChIInChI=1S/C11H10BrNO3/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyYWHABBBYNDXUIC-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 711593) is 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(Br)cc2C12OCCCO2.
What is the InChIKey of 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is YWHABBBYNDXUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 284.11 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromospiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 711593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).