1-(1,3-diacetylindol-6-yl)ethanone

C14H13NO3 — CID 12823062

IUPAC1-(1,3-diacetylindol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(C(C)=O)cn(C(C)=O)c2c1
InChIInChI=1S/C14H13NO3/c1-8(16)11-4-5-12-13(9(2)17)7-15(10(3)18)14(12)6-11/h4-7H,1-3H3
InChIKeyAAEDFJJVXRUGRY-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.71
Rot. Bonds2

About 1-(1,3-diacetylindol-6-yl)ethanone

1-(1,3-diacetylindol-6-yl)ethanone (PubChem CID 12823062) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(1,3-diacetylindol-6-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-diacetylindol-6-yl)ethanone
PubChem CID12823062
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-(1,3-diacetylindol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(C(C)=O)cn(C(C)=O)c2c1
InChIInChI=1S/C14H13NO3/c1-8(16)11-4-5-12-13(9(2)17)7-15(10(3)18)14(12)6-11/h4-7H,1-3H3
InChIKeyAAEDFJJVXRUGRY-UHFFFAOYSA-N
XLogP2.71
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
CID 113213002
3-acetyl-1-methylindole-6-carboxylic acid
CID 59337680
1-(1-acetyl-4-fluoroindol-3-yl)ethanone
CID 141379951
N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
CID 113213187
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213189
1-(3,6,8-triacetylpyren-1-yl)ethanone
CID 102339183
1-(3-hydroxy-6-methylindol-1-yl)ethanone
CID 163207084
1-acetyl-N-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carboxamide
CID 113213026
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
CID 113213191
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diacetylindol-6-yl)ethanone?
The IUPAC name of 1-(1,3-diacetylindol-6-yl)ethanone (CID 12823062) is 1-(1,3-diacetylindol-6-yl)ethanone.
What is the SMILES notation for 1-(1,3-diacetylindol-6-yl)ethanone?
The canonical SMILES for 1-(1,3-diacetylindol-6-yl)ethanone is CC(=O)c1ccc2c(C(C)=O)cn(C(C)=O)c2c1.
What is the InChIKey of 1-(1,3-diacetylindol-6-yl)ethanone?
The InChIKey is AAEDFJJVXRUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8(16)11-4-5-12-13(9(2)17)7-15(10(3)18)14(12)6-11/h4-7H,1-3H3.
What are the key properties of 1-(1,3-diacetylindol-6-yl)ethanone?
1-(1,3-diacetylindol-6-yl)ethanone has a molecular weight of 243.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diacetylindol-6-yl)ethanone is sourced from PubChem (CID 12823062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).