5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione

C14H18N2O2 — CID 61388464

IUPAC5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
SMILESCCNCCN1C(=O)C(=O)c2cc(CC)ccc21
InChIInChI=1S/C14H18N2O2/c1-3-10-5-6-12-11(9-10)13(17)14(18)16(12)8-7-15-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyPYBMFTFUNPCIQP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.39
Rot. Bonds5

About 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione

5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione (PubChem CID 61388464) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
PubChem CID61388464
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
SMILESCCNCCN1C(=O)C(=O)c2cc(CC)ccc21
InChIInChI=1S/C14H18N2O2/c1-3-10-5-6-12-11(9-10)13(17)14(18)16(12)8-7-15-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyPYBMFTFUNPCIQP-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.39
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione?
The IUPAC name of 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione (CID 61388464) is 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione.
What is the SMILES notation for 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione?
The canonical SMILES for 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione is CCNCCN1C(=O)C(=O)c2cc(CC)ccc21.
What is the InChIKey of 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione?
The InChIKey is PYBMFTFUNPCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-10-5-6-12-11(9-10)13(17)14(18)16(12)8-7-15-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione?
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione has a molecular weight of 246.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione is sourced from PubChem (CID 61388464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).