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

C15H17NO3 — CID 781761

IUPAC5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2cc(C)ccc21
InChIInChI=1S/C15H17NO3/c1-3-7-16-13-6-5-11(2)10-12(13)15(14(16)17)18-8-4-9-19-15/h3,5-6,10H,1,4,7-9H2,2H3
InChIKeyUVVDLAKAKNIHAG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.12
Rot. Bonds2

About 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one

5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 781761) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID781761
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2cc(C)ccc21
InChIInChI=1S/C15H17NO3/c1-3-7-16-13-6-5-11(2)10-12(13)15(14(16)17)18-8-4-9-19-15/h3,5-6,10H,1,4,7-9H2,2H3
InChIKeyUVVDLAKAKNIHAG-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 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 781761) is 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCCO2)c2cc(C)ccc21.
What is the InChIKey of 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is UVVDLAKAKNIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-7-16-13-6-5-11(2)10-12(13)15(14(16)17)18-8-4-9-19-15/h3,5-6,10H,1,4,7-9H2,2H3.
What are the key properties of 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
5'-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 5'-methyl-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 781761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).