5,6-dimethoxy-1,3,3-trimethylindol-2-one

C13H17NO3 — CID 82496589

IUPAC5,6-dimethoxy-1,3,3-trimethylindol-2-one
SMILESCOc1cc2c(cc1OC)C(C)(C)C(=O)N2C
InChIInChI=1S/C13H17NO3/c1-13(2)8-6-10(16-4)11(17-5)7-9(8)14(3)12(13)15/h6-7H,1-5H3
InChIKeyNVERHRPQQBCKRO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.96
Rot. Bonds2

About 5,6-dimethoxy-1,3,3-trimethylindol-2-one

5,6-dimethoxy-1,3,3-trimethylindol-2-one (PubChem CID 82496589) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5,6-dimethoxy-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5,6-dimethoxy-1,3,3-trimethylindol-2-one
PubChem CID82496589
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5,6-dimethoxy-1,3,3-trimethylindol-2-one
SMILESCOc1cc2c(cc1OC)C(C)(C)C(=O)N2C
InChIInChI=1S/C13H17NO3/c1-13(2)8-6-10(16-4)11(17-5)7-9(8)14(3)12(13)15/h6-7H,1-5H3
InChIKeyNVERHRPQQBCKRO-UHFFFAOYSA-N
XLogP1.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-diamino-1,3,3-trimethylindol-2-one
CID 23092656
methyl 5-bromo-1,3,3-trimethyl-2-oxoindole-6-carboxylate
CID 156537382
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one
CID 177159783
6-methoxy-1,3,3-trimethyl-5-[[3-[(2S)-piperidin-2-yl]anilino]methyl]indol-2-one;dihydrochloride
CID 70139462
5-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3,3-trimethylindol-2-one
CID 92692889
2-[3-[3-(6,7-dimethoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)propylamino]propyl]-6,7-dimethoxy-4,4-dimethylisoquinoline-1,3-dione
CID 21428614
methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate
CID 102310906
methyl 6-(1-ethoxyethenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 167311104
2-oxo-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetic acid
CID 82479711
6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157443
5,6-dimethoxy-3,3-dimethyl-2-methylideneinden-1-one
CID 129213364

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1,3,3-trimethylindol-2-one?
The IUPAC name of 5,6-dimethoxy-1,3,3-trimethylindol-2-one (CID 82496589) is 5,6-dimethoxy-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5,6-dimethoxy-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5,6-dimethoxy-1,3,3-trimethylindol-2-one is COc1cc2c(cc1OC)C(C)(C)C(=O)N2C.
What is the InChIKey of 5,6-dimethoxy-1,3,3-trimethylindol-2-one?
The InChIKey is NVERHRPQQBCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)8-6-10(16-4)11(17-5)7-9(8)14(3)12(13)15/h6-7H,1-5H3.
What are the key properties of 5,6-dimethoxy-1,3,3-trimethylindol-2-one?
5,6-dimethoxy-1,3,3-trimethylindol-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 82496589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).