1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione

C8H12N2O3 — CID 4512553

IUPAC1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione
SMILESCCN1C(=O)C=C(NCCO)C1=O
InChIInChI=1S/C8H12N2O3/c1-2-10-7(12)5-6(8(10)13)9-3-4-11/h5,9,11H,2-4H2,1H3
InChIKeyUASOOXGARHNJLA-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.16
Rot. Bonds4

About 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione

1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione (PubChem CID 4512553) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione
PubChem CID4512553
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione
SMILESCCN1C(=O)C=C(NCCO)C1=O
InChIInChI=1S/C8H12N2O3/c1-2-10-7(12)5-6(8(10)13)9-3-4-11/h5,9,11H,2-4H2,1H3
InChIKeyUASOOXGARHNJLA-UHFFFAOYSA-N
XLogP-1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione (CID 4512553) is 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione is CCN1C(=O)C=C(NCCO)C1=O.
What is the InChIKey of 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
The InChIKey is UASOOXGARHNJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-10-7(12)5-6(8(10)13)9-3-4-11/h5,9,11H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione has a molecular weight of 184.19 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 4512553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).