2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide

C9H12N2O4 — CID 115586377

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-15-5-4-10-7(12)6-11-8(13)2-3-9(11)14/h2-3H,4-6H2,1H3,(H,10,12)
InChIKeyWLFXVKWQOGJMIA-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.33
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide

2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 115586377) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID115586377
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-15-5-4-10-7(12)6-11-8(13)2-3-9(11)14/h2-3H,4-6H2,1H3,(H,10,12)
InChIKeyWLFXVKWQOGJMIA-UHFFFAOYSA-N
XLogP-1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide (CID 115586377) is 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is WLFXVKWQOGJMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-15-5-4-10-7(12)6-11-8(13)2-3-9(11)14/h2-3H,4-6H2,1H3,(H,10,12).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide?
2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 212.20 g/mol, XLogP of -1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115586377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).