2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione

C8H14N2O4 — CID 22661579

IUPAC2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.OCCNCCO
InChIInChI=1S/C4H3NO2.C4H11NO2/c6-3-1-2-4(7)5-3;6-3-1-5-2-4-7/h1-2H,(H,5,6,7);5-7H,1-4H2
InChIKeyMNWJROMCMRJITB-UHFFFAOYSA-N
MW202.21 g/mol
LogP-2.24
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione

2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione (PubChem CID 22661579) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione
PubChem CID22661579
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.OCCNCCO
InChIInChI=1S/C4H3NO2.C4H11NO2/c6-3-1-2-4(7)5-3;6-3-1-5-2-4-7/h1-2H,(H,5,6,7);5-7H,1-4H2
InChIKeyMNWJROMCMRJITB-UHFFFAOYSA-N
XLogP-2.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione (CID 22661579) is 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione is O=C1C=CC(=O)N1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione?
The InChIKey is MNWJROMCMRJITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C4H11NO2/c6-3-1-2-4(7)5-3;6-3-1-5-2-4-7/h1-2H,(H,5,6,7);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione?
2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione has a molecular weight of 202.21 g/mol, XLogP of -2.24, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;pyrrole-2,5-dione is sourced from PubChem (CID 22661579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).