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

C9H14N2O3 — CID 60667704

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h2-6H2,1H3,(H,10,12)
InChIKeyUEGZDIGIZBYUBM-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.34
Rot. Bonds4

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

3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide (PubChem CID 60667704) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide
PubChem CID60667704
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O3/c1-2-10-7(12)5-6-11-8(13)3-4-9(11)14/h2-6H2,1H3,(H,10,12)
InChIKeyUEGZDIGIZBYUBM-UHFFFAOYSA-N
XLogP-0.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-ethylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide (CID 60667704) is 3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide?
The InChIKey is UEGZDIGIZBYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-10-7(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-ethylpropanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide has a molecular weight of 198.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 60667704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).