1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione

C8H12N2O4 — CID 7036254

IUPAC1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione
SMILESO=C1C/C(=N\CCO)C(=O)N1CCO
InChIInChI=1S/C8H12N2O4/c11-3-1-9-6-5-7(13)10(2-4-12)8(6)14/h11-12H,1-5H2/b9-6+
InChIKeyBZPZSMGFKSEGGV-RMKNXTFCSA-N
MW200.19 g/mol
LogP-1.83
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione

1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione (PubChem CID 7036254) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione
PubChem CID7036254
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione
SMILESO=C1C/C(=N\CCO)C(=O)N1CCO
InChIInChI=1S/C8H12N2O4/c11-3-1-9-6-5-7(13)10(2-4-12)8(6)14/h11-12H,1-5H2/b9-6+
InChIKeyBZPZSMGFKSEGGV-RMKNXTFCSA-N
XLogP-1.83
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione (CID 7036254) is 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione is O=C1C/C(=N\CCO)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione?
The InChIKey is BZPZSMGFKSEGGV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-1-9-6-5-7(13)10(2-4-12)8(6)14/h11-12H,1-5H2/b9-6+.
What are the key properties of 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione?
1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione has a molecular weight of 200.19 g/mol, XLogP of -1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-hydroxyethylimino)pyrrolidine-2,5-dione is sourced from PubChem (CID 7036254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).