1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one

C19H19NO3 — CID 570810

IUPAC1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-18(14-8-4-3-5-9-14)12-22-19(23-13-18)15-10-6-7-11-16(15)20(2)17(19)21/h3-11H,12-13H2,1-2H3
InChIKeyQHBZKFMIACFJST-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.82
Rot. Bonds1

About 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one

1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 570810) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID570810
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-18(14-8-4-3-5-9-14)12-22-19(23-13-18)15-10-6-7-11-16(15)20(2)17(19)21/h3-11H,12-13H2,1-2H3
InChIKeyQHBZKFMIACFJST-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 570810) is 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one is CN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21.
What is the InChIKey of 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is QHBZKFMIACFJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-18(14-8-4-3-5-9-14)12-22-19(23-13-18)15-10-6-7-11-16(15)20(2)17(19)21/h3-11H,12-13H2,1-2H3.
What are the key properties of 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 309.37 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5-dimethyl-5-phenylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 570810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).