O-methylhydroxylamine;pyrrole-2,5-dione

C5H8N2O3 — CID 174341354

IUPACO-methylhydroxylamine;pyrrole-2,5-dione
SMILESCON.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH5NO/c6-3-1-2-4(7)5-3;1-3-2/h1-2H,(H,5,6,7);2H2,1H3
InChIKeyITXFLXWKLVJKHG-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.29
Rot. Bonds

About O-methylhydroxylamine;pyrrole-2,5-dione

O-methylhydroxylamine;pyrrole-2,5-dione (PubChem CID 174341354) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is O-methylhydroxylamine;pyrrole-2,5-dione.

Molecular Properties

Compound NameO-methylhydroxylamine;pyrrole-2,5-dione
PubChem CID174341354
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC NameO-methylhydroxylamine;pyrrole-2,5-dione
SMILESCON.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH5NO/c6-3-1-2-4(7)5-3;1-3-2/h1-2H,(H,5,6,7);2H2,1H3
InChIKeyITXFLXWKLVJKHG-UHFFFAOYSA-N
XLogP-1.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-methylhydroxylamine;pyrrole-2,5-dione?
The IUPAC name of O-methylhydroxylamine;pyrrole-2,5-dione (CID 174341354) is O-methylhydroxylamine;pyrrole-2,5-dione.
What is the SMILES notation for O-methylhydroxylamine;pyrrole-2,5-dione?
The canonical SMILES for O-methylhydroxylamine;pyrrole-2,5-dione is CON.O=C1C=CC(=O)N1.
What is the InChIKey of O-methylhydroxylamine;pyrrole-2,5-dione?
The InChIKey is ITXFLXWKLVJKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.CH5NO/c6-3-1-2-4(7)5-3;1-3-2/h1-2H,(H,5,6,7);2H2,1H3.
What are the key properties of O-methylhydroxylamine;pyrrole-2,5-dione?
O-methylhydroxylamine;pyrrole-2,5-dione has a molecular weight of 144.13 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-methylhydroxylamine;pyrrole-2,5-dione is sourced from PubChem (CID 174341354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).