1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione

C8H12N2O3 — CID 90070612

IUPAC1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCNCCO
InChIInChI=1S/C8H12N2O3/c11-6-4-9-3-5-10-7(12)1-2-8(10)13/h1-2,9,11H,3-6H2
InChIKeyARSIWGRCQYJDSZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.51
Rot. Bonds5

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

1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione (PubChem CID 90070612) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione
PubChem CID90070612
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCNCCO
InChIInChI=1S/C8H12N2O3/c11-6-4-9-3-5-10-7(12)1-2-8(10)13/h1-2,9,11H,3-6H2
InChIKeyARSIWGRCQYJDSZ-UHFFFAOYSA-N
XLogP-1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione (CID 90070612) is 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCNCCO.
What is the InChIKey of 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione?
The InChIKey is ARSIWGRCQYJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-6-4-9-3-5-10-7(12)1-2-8(10)13/h1-2,9,11H,3-6H2.
What are the key properties of 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione?
1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione has a molecular weight of 184.19 g/mol, XLogP of -1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylamino)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 90070612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).