7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one

C15H17NO3 — CID 2986591

IUPAC7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2cccc(C)c21
InChIInChI=1S/C15H17NO3/c1-3-8-16-13-11(2)6-4-7-12(13)15(14(16)17)18-9-5-10-19-15/h3-4,6-7H,1,5,8-10H2,2H3
InChIKeyGTBMQJUGNNAFHC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.12
Rot. Bonds2

About 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one

7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 2986591) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID2986591
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2cccc(C)c21
InChIInChI=1S/C15H17NO3/c1-3-8-16-13-11(2)6-4-7-12(13)15(14(16)17)18-9-5-10-19-15/h3-4,6-7H,1,5,8-10H2,2H3
InChIKeyGTBMQJUGNNAFHC-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 2986591) is 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCCO2)c2cccc(C)c21.
What is the InChIKey of 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is GTBMQJUGNNAFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-8-16-13-11(2)6-4-7-12(13)15(14(16)17)18-9-5-10-19-15/h3-4,6-7H,1,5,8-10H2,2H3.
What are the key properties of 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 259.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 2986591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).