3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione

C12H15N3O2 — CID 43637577

IUPAC3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
SMILESNCCNC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H15N3O2/c13-6-7-14-10-8-11(16)15(12(10)17)9-4-2-1-3-5-9/h1-5,10,14H,6-8,13H2
InChIKeyLSBVESXDXBZTMU-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.13
Rot. Bonds4

About 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione

3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 43637577) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
PubChem CID43637577
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
SMILESNCCNC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H15N3O2/c13-6-7-14-10-8-11(16)15(12(10)17)9-4-2-1-3-5-9/h1-5,10,14H,6-8,13H2
InChIKeyLSBVESXDXBZTMU-UHFFFAOYSA-N
XLogP-0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 106397819
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
CID 61325731
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione (CID 43637577) is 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione is NCCNC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is LSBVESXDXBZTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-6-7-14-10-8-11(16)15(12(10)17)9-4-2-1-3-5-9/h1-5,10,14H,6-8,13H2.
What are the key properties of 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione?
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 43637577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).