3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide

C10H14N2O4 — CID 59256417

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4/c1-16-7-5-11-8(13)4-6-12-9(14)2-3-10(12)15/h2-3H,4-7H2,1H3,(H,11,13)
InChIKeyOOHIENATKNUVLJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.94
Rot. Bonds6

About 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 59256417) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID59256417
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4/c1-16-7-5-11-8(13)4-6-12-9(14)2-3-10(12)15/h2-3H,4-7H2,1H3,(H,11,13)
InChIKeyOOHIENATKNUVLJ-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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Related Compounds

1-[2-(2-aminoethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 91667266
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
Poly(oxy-1,2-ethanediyl), I+/--[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]propyl]-I-methoxy-
CID 58005097
N,N'-((Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 59628078
alpha-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethyl]-omega-hydroxypoly(oxy-1,2-ethanediyl)
CID 68311348
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
1-[2-(2-Aminoethoxy)ethyl]pyrrole-2,5-dione
CID 53691548
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 21135495
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide (CID 59256417) is 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is OOHIENATKNUVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-7-5-11-8(13)4-6-12-9(14)2-3-10(12)15/h2-3H,4-7H2,1H3,(H,11,13).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide 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-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 59256417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).