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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Related Compounds

Indole-2,3-dione 3-ethylene ketal
CID 129772617
2-Acetoxy indolin-3-one
CID 129823139
[2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate
CID 102252687
Isatine dimethyl ketal
CID 123242103
2-Ethoxy-3-indolinone
CID 129800524
spiro[1H-indole-2,2'-oxolane]-3-one
CID 130005415
(1R,11S,13R)-11-methyl-12,16-dioxa-9-azatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-trien-2-one
CID 139181773
(2S)-6-methylspiro[1H-indole-2,2'-oxane]-3-one
CID 139190764
methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate
CID 139190765
2-Methoxy-1,2-dihydroindol-3-one
CID 12777300
Ethyl 2,3-dihydro-2-methyl-3-oxo-1H-indole-2-carboxylate
CID 118449701
ethyl 2-but-1-en-2-yl-3-oxo-1H-indole-2-carboxylate
CID 126544118

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).