2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide

C9H12N2O4 — CID 174253875

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-10-7(12)6-15-5-4-11-8(13)2-3-9(11)14/h2-3H,4-6H2,1H3,(H,10,12)
InChIKeyUAYRLAUEBFEOBB-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.33
Rot. Bonds5

About 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide

2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide (PubChem CID 174253875) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide
PubChem CID174253875
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O4/c1-10-7(12)6-15-5-4-11-8(13)2-3-9(11)14/h2-3H,4-6H2,1H3,(H,10,12)
InChIKeyUAYRLAUEBFEOBB-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-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide (CID 174253875) is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide is CNC(=O)COCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide?
The InChIKey is UAYRLAUEBFEOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-10-7(12)6-15-5-4-11-8(13)2-3-9(11)14/h2-3H,4-6H2,1H3,(H,10,12).
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide?
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide 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-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylacetamide is sourced from PubChem (CID 174253875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).