5-acetyl-6-methoxy-1,2-dihydroindol-3-one

C11H11NO3 — CID 69171683

IUPAC5-acetyl-6-methoxy-1,2-dihydroindol-3-one
SMILESCOc1cc2c(cc1C(C)=O)C(=O)CN2
InChIInChI=1S/C11H11NO3/c1-6(13)7-3-8-9(4-11(7)15-2)12-5-10(8)14/h3-4,12H,5H2,1-2H3
InChIKeyYRXSJYWWRQDCOL-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.51
Rot. Bonds2

About 5-acetyl-6-methoxy-1,2-dihydroindol-3-one

5-acetyl-6-methoxy-1,2-dihydroindol-3-one (PubChem CID 69171683) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-acetyl-6-methoxy-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name5-acetyl-6-methoxy-1,2-dihydroindol-3-one
PubChem CID69171683
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-acetyl-6-methoxy-1,2-dihydroindol-3-one
SMILESCOc1cc2c(cc1C(C)=O)C(=O)CN2
InChIInChI=1S/C11H11NO3/c1-6(13)7-3-8-9(4-11(7)15-2)12-5-10(8)14/h3-4,12H,5H2,1-2H3
InChIKeyYRXSJYWWRQDCOL-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
CID 3017916
5,7-dimethoxy-1,2-dihydroindol-3-one
CID 96623944
1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
CID 176614232
1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane
CID 174728392
1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
CID 174193299
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
4-acetyl-3-methoxybenzaldehyde
CID 14123550
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
6-acetyl-7-methoxy-3H-quinazolin-4-one
CID 137176609

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methoxy-1,2-dihydroindol-3-one?
The IUPAC name of 5-acetyl-6-methoxy-1,2-dihydroindol-3-one (CID 69171683) is 5-acetyl-6-methoxy-1,2-dihydroindol-3-one.
What is the SMILES notation for 5-acetyl-6-methoxy-1,2-dihydroindol-3-one?
The canonical SMILES for 5-acetyl-6-methoxy-1,2-dihydroindol-3-one is COc1cc2c(cc1C(C)=O)C(=O)CN2.
What is the InChIKey of 5-acetyl-6-methoxy-1,2-dihydroindol-3-one?
The InChIKey is YRXSJYWWRQDCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6(13)7-3-8-9(4-11(7)15-2)12-5-10(8)14/h3-4,12H,5H2,1-2H3.
What are the key properties of 5-acetyl-6-methoxy-1,2-dihydroindol-3-one?
5-acetyl-6-methoxy-1,2-dihydroindol-3-one has a molecular weight of 205.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methoxy-1,2-dihydroindol-3-one is sourced from PubChem (CID 69171683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).