[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate

C14H15NO4 — CID 57245491

IUPAC[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate
SMILESCC(=O)OCc1cc2cc[nH]c2cc1COC(C)=O
InChIInChI=1S/C14H15NO4/c1-9(16)18-7-12-5-11-3-4-15-14(11)6-13(12)8-19-10(2)17/h3-6,15H,7-8H2,1-2H3
InChIKeyGHEPCHGUXYVMDY-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.29
Rot. Bonds4

About [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate

[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate (PubChem CID 57245491) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate.

Molecular Properties

Compound Name[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate
PubChem CID57245491
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate
SMILESCC(=O)OCc1cc2cc[nH]c2cc1COC(C)=O
InChIInChI=1S/C14H15NO4/c1-9(16)18-7-12-5-11-3-4-15-14(11)6-13(12)8-19-10(2)17/h3-6,15H,7-8H2,1-2H3
InChIKeyGHEPCHGUXYVMDY-UHFFFAOYSA-N
XLogP2.29
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate?
The IUPAC name of [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate (CID 57245491) is [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate.
What is the SMILES notation for [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate?
The canonical SMILES for [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate is CC(=O)OCc1cc2cc[nH]c2cc1COC(C)=O.
What is the InChIKey of [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate?
The InChIKey is GHEPCHGUXYVMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(16)18-7-12-5-11-3-4-15-14(11)6-13(12)8-19-10(2)17/h3-6,15H,7-8H2,1-2H3.
What are the key properties of [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate?
[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate has a molecular weight of 261.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate is sourced from PubChem (CID 57245491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).