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

C8H12N2O4 — CID 4531075

IUPAC1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione
SMILESO=C1C=C(NCCO)C(=O)N1CCO
InChIInChI=1S/C8H12N2O4/c11-3-1-9-6-5-7(13)10(2-4-12)8(6)14/h5,9,11-12H,1-4H2
InChIKeyXAPXBUCYYUEHON-UHFFFAOYSA-N
MW200.19 g/mol
LogP-2.19
Rot. Bonds5

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

1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione (PubChem CID 4531075) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione
PubChem CID4531075
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione
SMILESO=C1C=C(NCCO)C(=O)N1CCO
InChIInChI=1S/C8H12N2O4/c11-3-1-9-6-5-7(13)10(2-4-12)8(6)14/h5,9,11-12H,1-4H2
InChIKeyXAPXBUCYYUEHON-UHFFFAOYSA-N
XLogP-2.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
CID 24769798
2,6-Dihydroxy-N,N-bis(2-hydroxyethyl)pyrimidine-4-carboxamide
CID 241842
2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide
CID 12626847
1-(2-Methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione
CID 43842652
N,N-bis(2-hydroxyethyl)-5-oxopyrazole-3-carboxamide
CID 53949600
(Z)-2-acetamido-N-(2-hydroxyethyl)but-2-enamide
CID 57684494
2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide
CID 58331311
1-[2-(2-Hydroxyethylamino)ethyl]pyrrole-2,5-dione
CID 90070612
2-[Bis(2-hydroxyethyl)amino]but-2-enediamide
CID 91004465
2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 118022981
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 134572237
2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 148076208

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione (CID 4531075) is 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione is O=C1C=C(NCCO)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
The InChIKey is XAPXBUCYYUEHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-1-9-6-5-7(13)10(2-4-12)8(6)14/h5,9,11-12H,1-4H2.
What are the key properties of 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione has a molecular weight of 200.19 g/mol, XLogP of -2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 4531075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).