1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione

C7H8N2O3 — CID 57226533

IUPAC1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NCC1CO1
InChIInChI=1S/C7H8N2O3/c10-6-1-2-7(11)9(6)8-3-5-4-12-5/h1-2,5,8H,3-4H2
InChIKeyONNNGBZLWHHMEH-UHFFFAOYSA-N
MW168.15 g/mol
LogP-1.19
Rot. Bonds3

About 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione

1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione (PubChem CID 57226533) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione
PubChem CID57226533
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NCC1CO1
InChIInChI=1S/C7H8N2O3/c10-6-1-2-7(11)9(6)8-3-5-4-12-5/h1-2,5,8H,3-4H2
InChIKeyONNNGBZLWHHMEH-UHFFFAOYSA-N
XLogP-1.19
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione (CID 57226533) is 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione is O=C1C=CC(=O)N1NCC1CO1.
What is the InChIKey of 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione?
The InChIKey is ONNNGBZLWHHMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-1-2-7(11)9(6)8-3-5-4-12-5/h1-2,5,8H,3-4H2.
What are the key properties of 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione?
1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione has a molecular weight of 168.15 g/mol, XLogP of -1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 57226533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).