2-(1-acetylindol-3-yl)ethyl acetate

C14H15NO3 — CID 135086767

IUPAC2-(1-acetylindol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-10(16)15-9-12(7-8-18-11(2)17)13-5-3-4-6-14(13)15/h3-6,9H,7-8H2,1-2H3
InChIKeyYVEOTEKUVLEAER-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.41
Rot. Bonds3

About 2-(1-acetylindol-3-yl)ethyl acetate

2-(1-acetylindol-3-yl)ethyl acetate (PubChem CID 135086767) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1-acetylindol-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1-acetylindol-3-yl)ethyl acetate
PubChem CID135086767
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(1-acetylindol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-10(16)15-9-12(7-8-18-11(2)17)13-5-3-4-6-14(13)15/h3-6,9H,7-8H2,1-2H3
InChIKeyYVEOTEKUVLEAER-UHFFFAOYSA-N
XLogP2.41
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanone, 1-(1H-indol-1-yl)-
CID 68470
Methyl indole-3-acetate
CID 74706
Ethyl 1H-indole-3-acetate
CID 13067
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 344600
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
4-Indol-1-yl-4-oxo-butyric acid
CID 11148652
N-Propionylindole
CID 52373
1-(3-Methyl-1H-indol-1-yl)ethanone
CID 31979
3-(3-methyl-1H-indol-1-yl)propanoic acid
CID 713878
2-(1-benzyl-1H-indol-3-yl)acetic acid
CID 11010889
2-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 12247806

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylindol-3-yl)ethyl acetate?
The IUPAC name of 2-(1-acetylindol-3-yl)ethyl acetate (CID 135086767) is 2-(1-acetylindol-3-yl)ethyl acetate.
What is the SMILES notation for 2-(1-acetylindol-3-yl)ethyl acetate?
The canonical SMILES for 2-(1-acetylindol-3-yl)ethyl acetate is CC(=O)OCCc1cn(C(C)=O)c2ccccc12.
What is the InChIKey of 2-(1-acetylindol-3-yl)ethyl acetate?
The InChIKey is YVEOTEKUVLEAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)15-9-12(7-8-18-11(2)17)13-5-3-4-6-14(13)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(1-acetylindol-3-yl)ethyl acetate?
2-(1-acetylindol-3-yl)ethyl acetate has a molecular weight of 245.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylindol-3-yl)ethyl acetate is sourced from PubChem (CID 135086767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).