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

C7H10N2O3 — CID 4512557

IUPAC1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione
SMILESCNC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C7H10N2O3/c1-8-5-4-6(11)9(2-3-10)7(5)12/h4,8,10H,2-3H2,1H3
InChIKeyIGKWFZQWYPUUNE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.55
Rot. Bonds3

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

1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione (PubChem CID 4512557) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione
PubChem CID4512557
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione
SMILESCNC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C7H10N2O3/c1-8-5-4-6(11)9(2-3-10)7(5)12/h4,8,10H,2-3H2,1H3
InChIKeyIGKWFZQWYPUUNE-UHFFFAOYSA-N
XLogP-1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.55
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 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione (CID 4512557) is 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione is CNC1=CC(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione?
The InChIKey is IGKWFZQWYPUUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-5-4-6(11)9(2-3-10)7(5)12/h4,8,10H,2-3H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione is sourced from PubChem (CID 4512557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).