1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C19H19NO3 — CID 2985691

IUPAC1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CCc2ccccc2)c2ccccc2C12OCCCO2
InChIInChI=1S/C19H19NO3/c21-18-19(22-13-6-14-23-19)16-9-4-5-10-17(16)20(18)12-11-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
InChIKeyLLYAAHQJIKHKFT-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.87
Rot. Bonds3

About 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 2985691) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID2985691
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CCc2ccccc2)c2ccccc2C12OCCCO2
InChIInChI=1S/C19H19NO3/c21-18-19(22-13-6-14-23-19)16-9-4-5-10-17(16)20(18)12-11-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
InChIKeyLLYAAHQJIKHKFT-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 2985691) is 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(CCc2ccccc2)c2ccccc2C12OCCCO2.
What is the InChIKey of 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is LLYAAHQJIKHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18-19(22-13-6-14-23-19)16-9-4-5-10-17(16)20(18)12-11-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2.
What are the key properties of 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 309.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 2985691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).