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

C8H12N2O3 — CID 4512558

IUPAC3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCNC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C8H12N2O3/c1-2-9-6-5-7(12)10(3-4-11)8(6)13/h5,9,11H,2-4H2,1H3
InChIKeyDGWKFSOETBUFNL-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.16
Rot. Bonds4

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

3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 4512558) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID4512558
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCNC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C8H12N2O3/c1-2-9-6-5-7(12)10(3-4-11)8(6)13/h5,9,11H,2-4H2,1H3
InChIKeyDGWKFSOETBUFNL-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 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 4512558) is 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione is CCNC1=CC(=O)N(CCO)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is DGWKFSOETBUFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-9-6-5-7(12)10(3-4-11)8(6)13/h5,9,11H,2-4H2,1H3.
What are the key properties of 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-(ethylamino)-1-(2-hydroxyethyl)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 3-(ethylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 4512558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).