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

C12H13NO3 — CID 18889388

IUPAC1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-13-10-6-3-2-5-9(10)12(11(13)14)15-7-4-8-16-12/h2-3,5-6H,4,7-8H2,1H3
InChIKeyUURMYIIEVZWVIU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.25
Rot. Bonds

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

1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18889388) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18889388
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-13-10-6-3-2-5-9(10)12(11(13)14)15-7-4-8-16-12/h2-3,5-6H,4,7-8H2,1H3
InChIKeyUURMYIIEVZWVIU-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18889388) is 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one is CN1C(=O)C2(OCCCO2)c2ccccc21.
What is the InChIKey of 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is UURMYIIEVZWVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-10-6-3-2-5-9(10)12(11(13)14)15-7-4-8-16-12/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 219.24 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).