3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide

C10H14N2O4 — CID 71127231

IUPAC3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4/c1-11-8(13)4-6-16-7-5-12-9(14)2-3-10(12)15/h2-3H,4-7H2,1H3,(H,11,13)
InChIKeyIQVPDNBJHUEGLI-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.94
Rot. Bonds6

About 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide

3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide (PubChem CID 71127231) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
PubChem CID71127231
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4/c1-11-8(13)4-6-16-7-5-12-9(14)2-3-10(12)15/h2-3H,4-7H2,1H3,(H,11,13)
InChIKeyIQVPDNBJHUEGLI-UHFFFAOYSA-N
XLogP-0.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.94
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 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide (CID 71127231) is 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide is CNC(=O)CCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide?
The InChIKey is IQVPDNBJHUEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-8(13)4-6-16-7-5-12-9(14)2-3-10(12)15/h2-3H,4-7H2,1H3,(H,11,13).
What are the key properties of 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide?
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide has a molecular weight of 226.23 g/mol, XLogP of -0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide is sourced from PubChem (CID 71127231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).