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

C12H13NO3 — CID 56648372

IUPAC6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one
SMILESCc1ccc2c(c1)NC1(COCCO1)C2=O
InChIInChI=1S/C12H13NO3/c1-8-2-3-9-10(6-8)13-12(11(9)14)7-15-4-5-16-12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyMGWDSHGCUSOYSZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.35
Rot. Bonds

About 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one

6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one (PubChem CID 56648372) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one.

Molecular Properties

Compound Name6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one
PubChem CID56648372
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one
SMILESCc1ccc2c(c1)NC1(COCCO1)C2=O
InChIInChI=1S/C12H13NO3/c1-8-2-3-9-10(6-8)13-12(11(9)14)7-15-4-5-16-12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyMGWDSHGCUSOYSZ-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one?
The IUPAC name of 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one (CID 56648372) is 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one.
What is the SMILES notation for 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one?
The canonical SMILES for 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one is Cc1ccc2c(c1)NC1(COCCO1)C2=O.
What is the InChIKey of 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one?
The InChIKey is MGWDSHGCUSOYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-2-3-9-10(6-8)13-12(11(9)14)7-15-4-5-16-12/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one?
6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one has a molecular weight of 219.24 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one is sourced from PubChem (CID 56648372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).