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

C20H21NO3 — CID 2989151

IUPAC5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCCO1)C(=O)N2CCc1ccccc1
InChIInChI=1S/C20H21NO3/c1-15-8-9-18-17(14-15)20(23-12-5-13-24-20)19(22)21(18)11-10-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3
InChIKeyQCLNYUHFRVBVME-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.17
Rot. Bonds3

About 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 2989151) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID2989151
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCCO1)C(=O)N2CCc1ccccc1
InChIInChI=1S/C20H21NO3/c1-15-8-9-18-17(14-15)20(23-12-5-13-24-20)19(22)21(18)11-10-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3
InChIKeyQCLNYUHFRVBVME-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 2989151) is 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2CCc1ccccc1.
What is the InChIKey of 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is QCLNYUHFRVBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-15-8-9-18-17(14-15)20(23-12-5-13-24-20)19(22)21(18)11-10-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3.
What are the key properties of 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 323.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 2989151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).