1-(2-aminoethylamino)pyrrole-2,5-dione

C6H9N3O2 — CID 67856902

IUPAC1-(2-aminoethylamino)pyrrole-2,5-dione
SMILESNCCNN1C(=O)C=CC1=O
InChIInChI=1S/C6H9N3O2/c7-3-4-8-9-5(10)1-2-6(9)11/h1-2,8H,3-4,7H2
InChIKeyGFFZHOPZYLZYSG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.63
Rot. Bonds3

About 1-(2-aminoethylamino)pyrrole-2,5-dione

1-(2-aminoethylamino)pyrrole-2,5-dione (PubChem CID 67856902) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-(2-aminoethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-aminoethylamino)pyrrole-2,5-dione
PubChem CID67856902
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1-(2-aminoethylamino)pyrrole-2,5-dione
SMILESNCCNN1C(=O)C=CC1=O
InChIInChI=1S/C6H9N3O2/c7-3-4-8-9-5(10)1-2-6(9)11/h1-2,8H,3-4,7H2
InChIKeyGFFZHOPZYLZYSG-UHFFFAOYSA-N
XLogP-1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.63
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

N-(2,5-dioxopyrrol-1-yl)acetamide
CID 12289920
1-(Methylamino)pyrrole-2,5-dione
CID 13828990
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
1-(Ethylamino)pyrrole-2,5-dione;hydrochloride
CID 18671274
1-(Ethylamino)pyrrole-2,5-dione
CID 18671275
1-(Butylamino)pyrrole-2,5-dione
CID 23354887
1-(Propylamino)pyrrole-2,5-dione
CID 57514872
1-(But-3-enylamino)pyrrole-2,5-dione
CID 57514873
CID 58044780
CID 58044780
1-(3-Hydrazinylpropyl)pyrrole-2,5-dione
CID 66992825
1,1-Dimethyl-2-propylhydrazine;pyrrole-2,5-dione
CID 67402743
N-(2,5-dioxopyrrol-1-yl)propanamide
CID 67444117

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-aminoethylamino)pyrrole-2,5-dione (CID 67856902) is 1-(2-aminoethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-aminoethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-aminoethylamino)pyrrole-2,5-dione is NCCNN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-aminoethylamino)pyrrole-2,5-dione?
The InChIKey is GFFZHOPZYLZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-3-4-8-9-5(10)1-2-6(9)11/h1-2,8H,3-4,7H2.
What are the key properties of 1-(2-aminoethylamino)pyrrole-2,5-dione?
1-(2-aminoethylamino)pyrrole-2,5-dione has a molecular weight of 155.16 g/mol, XLogP of -1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 67856902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).