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

C13H15NO3 — CID 609514

IUPAC5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCC1(C)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H15NO3/c1-12(2)7-16-13(17-8-12)9-5-3-4-6-10(9)14-11(13)15/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyJOPZGFLVJQSJLC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.86
Rot. Bonds

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

5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 609514) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID609514
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCC1(C)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H15NO3/c1-12(2)7-16-13(17-8-12)9-5-3-4-6-10(9)14-11(13)15/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyJOPZGFLVJQSJLC-UHFFFAOYSA-N
XLogP1.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 609514) is 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is CC1(C)COC2(OC1)C(=O)Nc1ccccc12.
What is the InChIKey of 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is JOPZGFLVJQSJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-12(2)7-16-13(17-8-12)9-5-3-4-6-10(9)14-11(13)15/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 233.27 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 609514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).