3,3-dimethoxy-1,6-dimethylindol-2-one

C12H15NO3 — CID 54543930

IUPAC3,3-dimethoxy-1,6-dimethylindol-2-one
SMILESCOC1(OC)C(=O)N(C)c2cc(C)ccc21
InChIInChI=1S/C12H15NO3/c1-8-5-6-9-10(7-8)13(2)11(14)12(9,15-3)16-4/h5-7H,1-4H3
InChIKeyZFFJUSFSRXNCBJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.42
Rot. Bonds2

About 3,3-dimethoxy-1,6-dimethylindol-2-one

3,3-dimethoxy-1,6-dimethylindol-2-one (PubChem CID 54543930) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,3-dimethoxy-1,6-dimethylindol-2-one.

Molecular Properties

Compound Name3,3-dimethoxy-1,6-dimethylindol-2-one
PubChem CID54543930
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3,3-dimethoxy-1,6-dimethylindol-2-one
SMILESCOC1(OC)C(=O)N(C)c2cc(C)ccc21
InChIInChI=1S/C12H15NO3/c1-8-5-6-9-10(7-8)13(2)11(14)12(9,15-3)16-4/h5-7H,1-4H3
InChIKeyZFFJUSFSRXNCBJ-UHFFFAOYSA-N
XLogP1.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;ethane
CID 176997372
1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
CID 161024534
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
5,6-dimethoxy-1,3,3-trimethylindol-2-one
CID 82496589
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
CID 86581051
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
methyl 1',6-dimethyl-2'-oxospiro[1,3-dihydroindole-2,3'-indole]-3-carboxylate
CID 102101962
5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82295798
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one
CID 118525996

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-1,6-dimethylindol-2-one?
The IUPAC name of 3,3-dimethoxy-1,6-dimethylindol-2-one (CID 54543930) is 3,3-dimethoxy-1,6-dimethylindol-2-one.
What is the SMILES notation for 3,3-dimethoxy-1,6-dimethylindol-2-one?
The canonical SMILES for 3,3-dimethoxy-1,6-dimethylindol-2-one is COC1(OC)C(=O)N(C)c2cc(C)ccc21.
What is the InChIKey of 3,3-dimethoxy-1,6-dimethylindol-2-one?
The InChIKey is ZFFJUSFSRXNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-5-6-9-10(7-8)13(2)11(14)12(9,15-3)16-4/h5-7H,1-4H3.
What are the key properties of 3,3-dimethoxy-1,6-dimethylindol-2-one?
3,3-dimethoxy-1,6-dimethylindol-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-1,6-dimethylindol-2-one is sourced from PubChem (CID 54543930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).