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

C12H13NO3 — CID 2921040

IUPAC4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCC1CCOC2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H13NO3/c1-8-6-7-15-12(16-8)9-4-2-3-5-10(9)13-11(12)14/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyCABHZQQZJZDWNZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds

About 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 2921040) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID2921040
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCC1CCOC2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H13NO3/c1-8-6-7-15-12(16-8)9-4-2-3-5-10(9)13-11(12)14/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyCABHZQQZJZDWNZ-UHFFFAOYSA-N
XLogP1.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 2921040) is 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is CC1CCOC2(O1)C(=O)Nc1ccccc12.
What is the InChIKey of 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is CABHZQQZJZDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-6-7-15-12(16-8)9-4-2-3-5-10(9)13-11(12)14/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 219.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 2921040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).