3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione

C20H18N4O4 — CID 17067490

IUPAC3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O4/c25-19-11-16(20(26)23(19)17-7-3-4-8-18(17)24(27)28)21-10-9-13-12-22-15-6-2-1-5-14(13)15/h1-8,12,16,21-22H,9-11H2
InChIKeyVNZCAJPIUNJFFG-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.54
Rot. Bonds6

About 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione

3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 17067490) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID17067490
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O4/c25-19-11-16(20(26)23(19)17-7-3-4-8-18(17)24(27)28)21-10-9-13-12-22-15-6-2-1-5-14(13)15/h1-8,12,16,21-22H,9-11H2
InChIKeyVNZCAJPIUNJFFG-UHFFFAOYSA-N
XLogP2.54
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350173
(3R)-1-(3,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7647709
(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 27892840
(3S)-1-(2-chloro-4-methylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350243
(3R)-1-(3-chloro-4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7357869
3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 4874274
(3R)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 124542493
(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 27904241
[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7336292
2-(1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]ethanamine;hydrobromide
CID 75531274
(3S)-1-(4-bromophenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 40818428
1-(3-methoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874263

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione (CID 17067490) is 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione is O=C1CC(NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is VNZCAJPIUNJFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-19-11-16(20(26)23(19)17-7-3-4-8-18(17)24(27)28)21-10-9-13-12-22-15-6-2-1-5-14(13)15/h1-8,12,16,21-22H,9-11H2.
What are the key properties of 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 378.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 17067490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).