5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C18H24N2O4 — CID 568007

IUPAC5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12
InChIInChI=1S/C18H24N2O4/c1-17(2)11-23-18(24-12-17)14-5-3-4-6-15(14)20(16(18)21)13-19-7-9-22-10-8-19/h3-6H,7-13H2,1-2H3
InChIKeyKWUUNRZXTRZCNH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.55
Rot. Bonds2

About 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 568007) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID568007
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12
InChIInChI=1S/C18H24N2O4/c1-17(2)11-23-18(24-12-17)14-5-3-4-6-15(14)20(16(18)21)13-19-7-9-22-10-8-19/h3-6H,7-13H2,1-2H3
InChIKeyKWUUNRZXTRZCNH-UHFFFAOYSA-N
XLogP1.55
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 568007) is 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is CC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12.
What is the InChIKey of 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is KWUUNRZXTRZCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-17(2)11-23-18(24-12-17)14-5-3-4-6-15(14)20(16(18)21)13-19-7-9-22-10-8-19/h3-6H,7-13H2,1-2H3.
What are the key properties of 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 332.40 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 568007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).