3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide

C9H14N2O4 — CID 60717910

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide
SMILESCCONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O4/c1-2-15-10-7(12)5-6-11-8(13)3-4-9(11)14/h2-6H2,1H3,(H,10,12)
InChIKeyUMGRNCLCOYAGLO-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.41
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide (PubChem CID 60717910) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide
PubChem CID60717910
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide
SMILESCCONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O4/c1-2-15-10-7(12)5-6-11-8(13)3-4-9(11)14/h2-6H2,1H3,(H,10,12)
InChIKeyUMGRNCLCOYAGLO-UHFFFAOYSA-N
XLogP-0.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
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 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide (CID 60717910) is 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide is CCONC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide?
The InChIKey is UMGRNCLCOYAGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-15-10-7(12)5-6-11-8(13)3-4-9(11)14/h2-6H2,1H3,(H,10,12).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide has a molecular weight of 214.22 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethoxypropanamide is sourced from PubChem (CID 60717910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).