ethyl 3-acetyl-1-ethylindole-5-carboxylate

C15H17NO3 — CID 170857395

IUPACethyl 3-acetyl-1-ethylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(C(C)=O)cn2CC
InChIInChI=1S/C15H17NO3/c1-4-16-9-13(10(3)17)12-8-11(6-7-14(12)16)15(18)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyTVDZAMNNSYQUHW-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.04
Rot. Bonds4

About ethyl 3-acetyl-1-ethylindole-5-carboxylate

ethyl 3-acetyl-1-ethylindole-5-carboxylate (PubChem CID 170857395) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-acetyl-1-ethylindole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyl-1-ethylindole-5-carboxylate
PubChem CID170857395
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 3-acetyl-1-ethylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(C(C)=O)cn2CC
InChIInChI=1S/C15H17NO3/c1-4-16-9-13(10(3)17)12-8-11(6-7-14(12)16)15(18)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyTVDZAMNNSYQUHW-UHFFFAOYSA-N
XLogP3.04
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-acetyl-1-ethylindole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyl-1-ethylindole-5-carboxylate?
The IUPAC name of ethyl 3-acetyl-1-ethylindole-5-carboxylate (CID 170857395) is ethyl 3-acetyl-1-ethylindole-5-carboxylate.
What is the SMILES notation for ethyl 3-acetyl-1-ethylindole-5-carboxylate?
The canonical SMILES for ethyl 3-acetyl-1-ethylindole-5-carboxylate is CCOC(=O)c1ccc2c(c1)c(C(C)=O)cn2CC.
What is the InChIKey of ethyl 3-acetyl-1-ethylindole-5-carboxylate?
The InChIKey is TVDZAMNNSYQUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-16-9-13(10(3)17)12-8-11(6-7-14(12)16)15(18)19-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 3-acetyl-1-ethylindole-5-carboxylate?
ethyl 3-acetyl-1-ethylindole-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyl-1-ethylindole-5-carboxylate is sourced from PubChem (CID 170857395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).