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

C8H12N2O4 — CID 60717663

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide
SMILESCONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-14-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-5H2,1H3,(H,9,11)
InChIKeyMYDQJJIIRMUTRP-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.80
Rot. Bonds4

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

3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide (PubChem CID 60717663) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide
PubChem CID60717663
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide
SMILESCONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-14-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-5H2,1H3,(H,9,11)
InChIKeyMYDQJJIIRMUTRP-UHFFFAOYSA-N
XLogP-0.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.80
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-methoxypropanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide (CID 60717663) is 3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide is CONC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide?
The InChIKey is MYDQJJIIRMUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-14-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-5H2,1H3,(H,9,11).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-methoxypropanamide has a molecular weight of 200.19 g/mol, XLogP of -0.80, 4 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-methoxypropanamide is sourced from PubChem (CID 60717663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).