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

C13H16N2O2 — CID 61387334

IUPAC1-[3-(ethylamino)propyl]indole-2,3-dione
SMILESCCNCCCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-2-14-8-5-9-15-11-7-4-3-6-10(11)12(16)13(15)17/h3-4,6-7,14H,2,5,8-9H2,1H3
InChIKeyDFZYQPJTNVQISM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.22
Rot. Bonds5

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

1-[3-(ethylamino)propyl]indole-2,3-dione (PubChem CID 61387334) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]indole-2,3-dione
PubChem CID61387334
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[3-(ethylamino)propyl]indole-2,3-dione
SMILESCCNCCCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-2-14-8-5-9-15-11-7-4-3-6-10(11)12(16)13(15)17/h3-4,6-7,14H,2,5,8-9H2,1H3
InChIKeyDFZYQPJTNVQISM-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.22
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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Related Compounds

1-[3-(ethylamino)propyl]-6-fluoroindole-2,3-dione
CID 61387569
6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione
CID 61388444
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
CID 61387911
1-(3-ethylsulfanylpropyl)indole-2,3-dione
CID 115659187
1-(5-chloropentyl)indole-2,3-dione
CID 43348362
1-(3-azidopropyl)indole-2,3-dione
CID 71540686
1-butyl-3-methylidenequinoline-2,4-dione
CID 59034241
1-(2-propoxyethyl)indole-2,3-dione
CID 106453634
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
CID 61388464
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-ethylpropan-1-amine
CID 91474056
N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
1-[(2-hydroxyethylamino)methyl]indole-2,3-dione
CID 22013357

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]indole-2,3-dione?
The IUPAC name of 1-[3-(ethylamino)propyl]indole-2,3-dione (CID 61387334) is 1-[3-(ethylamino)propyl]indole-2,3-dione.
What is the SMILES notation for 1-[3-(ethylamino)propyl]indole-2,3-dione?
The canonical SMILES for 1-[3-(ethylamino)propyl]indole-2,3-dione is CCNCCCN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-[3-(ethylamino)propyl]indole-2,3-dione?
The InChIKey is DFZYQPJTNVQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-14-8-5-9-15-11-7-4-3-6-10(11)12(16)13(15)17/h3-4,6-7,14H,2,5,8-9H2,1H3.
What are the key properties of 1-[3-(ethylamino)propyl]indole-2,3-dione?
1-[3-(ethylamino)propyl]indole-2,3-dione has a molecular weight of 232.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]indole-2,3-dione is sourced from PubChem (CID 61387334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).