(1,2-diacetylindol-3-yl) acetate

C14H13NO4 — CID 31196222

IUPAC(1,2-diacetylindol-3-yl) acetate
SMILESCC(=O)Oc1c(C(C)=O)n(C(C)=O)c2ccccc12
InChIInChI=1S/C14H13NO4/c1-8(16)13-14(19-10(3)18)11-6-4-5-7-12(11)15(13)9(2)17/h4-7H,1-3H3
InChIKeySDLJOISUCPYHPJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.43
Rot. Bonds2

About (1,2-diacetylindol-3-yl) acetate

(1,2-diacetylindol-3-yl) acetate (PubChem CID 31196222) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is (1,2-diacetylindol-3-yl) acetate.

Molecular Properties

Compound Name(1,2-diacetylindol-3-yl) acetate
PubChem CID31196222
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(1,2-diacetylindol-3-yl) acetate
SMILESCC(=O)Oc1c(C(C)=O)n(C(C)=O)c2ccccc12
InChIInChI=1S/C14H13NO4/c1-8(16)13-14(19-10(3)18)11-6-4-5-7-12(11)15(13)9(2)17/h4-7H,1-3H3
InChIKeySDLJOISUCPYHPJ-UHFFFAOYSA-N
XLogP2.43
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-acetyl-2-methylindol-3-yl) acetate
CID 15565752
1-carbazol-9-ylethanone;ethane
CID 142183368
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662
tert-butyl 1-acetyl-3-aminoindole-2-carboxylate
CID 19360139
methyl 1-acetyl-3-fluoroindole-2-carboxylate
CID 133062838
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone
CID 135441590
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate
CID 13344650
(2-acetyl-1-methylindol-3-yl) furan-2-carboxylate
CID 805223
tert-butyl 2-acetyl-3-fluoroindole-1-carboxylate
CID 133054826
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781

Frequently Asked Questions

What is the IUPAC name of (1,2-diacetylindol-3-yl) acetate?
The IUPAC name of (1,2-diacetylindol-3-yl) acetate (CID 31196222) is (1,2-diacetylindol-3-yl) acetate.
What is the SMILES notation for (1,2-diacetylindol-3-yl) acetate?
The canonical SMILES for (1,2-diacetylindol-3-yl) acetate is CC(=O)Oc1c(C(C)=O)n(C(C)=O)c2ccccc12.
What is the InChIKey of (1,2-diacetylindol-3-yl) acetate?
The InChIKey is SDLJOISUCPYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8(16)13-14(19-10(3)18)11-6-4-5-7-12(11)15(13)9(2)17/h4-7H,1-3H3.
What are the key properties of (1,2-diacetylindol-3-yl) acetate?
(1,2-diacetylindol-3-yl) acetate has a molecular weight of 259.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diacetylindol-3-yl) acetate is sourced from PubChem (CID 31196222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).