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

C14H17NO3 — CID 577292

IUPAC5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCCC1(C)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C14H17NO3/c1-3-13(2)8-17-14(18-9-13)10-6-4-5-7-11(10)15-12(14)16/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyIMDTYSFILNDLKF-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.25
Rot. Bonds1

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

5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 577292) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID577292
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCCC1(C)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C14H17NO3/c1-3-13(2)8-17-14(18-9-13)10-6-4-5-7-11(10)15-12(14)16/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyIMDTYSFILNDLKF-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 577292) is 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is CCC1(C)COC2(OC1)C(=O)Nc1ccccc12.
What is the InChIKey of 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is IMDTYSFILNDLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-13(2)8-17-14(18-9-13)10-6-4-5-7-11(10)15-12(14)16/h4-7H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 247.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 577292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).