3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one

C14H17NO3 — CID 13287103

IUPAC3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one
SMILESCCOCCC1(C(C)=O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H17NO3/c1-3-18-9-8-14(10(2)16)11-6-4-5-7-12(11)15-13(14)17/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyJNJQSTJENYDELD-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.89
Rot. Bonds5

About 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one

3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one (PubChem CID 13287103) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one
PubChem CID13287103
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one
SMILESCCOCCC1(C(C)=O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H17NO3/c1-3-18-9-8-14(10(2)16)11-6-4-5-7-12(11)15-13(14)17/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyJNJQSTJENYDELD-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one 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 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one?
The IUPAC name of 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one (CID 13287103) is 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one.
What is the SMILES notation for 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one?
The canonical SMILES for 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one is CCOCCC1(C(C)=O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one?
The InChIKey is JNJQSTJENYDELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-18-9-8-14(10(2)16)11-6-4-5-7-12(11)15-13(14)17/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one?
3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one is sourced from PubChem (CID 13287103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).