N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide

C9H13N3O4 — CID 59741601

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide
SMILESCNOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O4/c1-10-16-6-7(13)11-4-5-12-8(14)2-3-9(12)15/h2-3,10H,4-6H2,1H3,(H,11,13)
InChIKeyLJFQRTWZTKXTJE-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.82
Rot. Bonds6

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide (PubChem CID 59741601) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide
PubChem CID59741601
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide
SMILESCNOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H13N3O4/c1-10-16-6-7(13)11-4-5-12-8(14)2-3-9(12)15/h2-3,10H,4-6H2,1H3,(H,11,13)
InChIKeyLJFQRTWZTKXTJE-UHFFFAOYSA-N
XLogP-1.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide (CID 59741601) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide is CNOCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide?
The InChIKey is LJFQRTWZTKXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-10-16-6-7(13)11-4-5-12-8(14)2-3-9(12)15/h2-3,10H,4-6H2,1H3,(H,11,13).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide is sourced from PubChem (CID 59741601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).