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

C12H16N4O4 — CID 122513523

IUPAC1-(2-aminoethyl)pyrrole-2,5-dione
SMILESNCCN1C(=O)C=CC1=O.NCCN1C(=O)C=CC1=O
InChIInChI=1S/2C6H8N2O2/c2*7-3-4-8-5(9)1-2-6(8)10/h2*1-2H,3-4,7H2
InChIKeyGCUJGKYICPCYSF-UHFFFAOYSA-N
MW280.28 g/mol
LogP-2.26
Rot. Bonds4

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

1-(2-aminoethyl)pyrrole-2,5-dione (PubChem CID 122513523) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrole-2,5-dione
PubChem CID122513523
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-(2-aminoethyl)pyrrole-2,5-dione
SMILESNCCN1C(=O)C=CC1=O.NCCN1C(=O)C=CC1=O
InChIInChI=1S/2C6H8N2O2/c2*7-3-4-8-5(9)1-2-6(8)10/h2*1-2H,3-4,7H2
InChIKeyGCUJGKYICPCYSF-UHFFFAOYSA-N
XLogP-2.26
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-aminoethyl)pyrrole-2,5-dione (CID 122513523) is 1-(2-aminoethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-aminoethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-aminoethyl)pyrrole-2,5-dione is NCCN1C(=O)C=CC1=O.NCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-aminoethyl)pyrrole-2,5-dione?
The InChIKey is GCUJGKYICPCYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N2O2/c2*7-3-4-8-5(9)1-2-6(8)10/h2*1-2H,3-4,7H2.
What are the key properties of 1-(2-aminoethyl)pyrrole-2,5-dione?
1-(2-aminoethyl)pyrrole-2,5-dione has a molecular weight of 280.28 g/mol, XLogP of -2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrole-2,5-dione is sourced from PubChem (CID 122513523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).