1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione

C13H16N2O2 — CID 61387891

IUPAC1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
SMILESCCNCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C13H16N2O2/c1-3-14-7-8-15-11-9(2)5-4-6-10(11)12(16)13(15)17/h4-6,14H,3,7-8H2,1-2H3
InChIKeyVSSJKDIPUSXPTM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione

1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione (PubChem CID 61387891) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
PubChem CID61387891
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
SMILESCCNCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C13H16N2O2/c1-3-14-7-8-15-11-9(2)5-4-6-10(11)12(16)13(15)17/h4-6,14H,3,7-8H2,1-2H3
InChIKeyVSSJKDIPUSXPTM-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione 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 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione?
The IUPAC name of 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione (CID 61387891) is 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione is CCNCCN1C(=O)C(=O)c2cccc(C)c21.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione?
The InChIKey is VSSJKDIPUSXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-14-7-8-15-11-9(2)5-4-6-10(11)12(16)13(15)17/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione?
1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione has a molecular weight of 232.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione is sourced from PubChem (CID 61387891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).