1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione

C10H16N2O4 — CID 43842652

IUPAC1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione
SMILESCOCCNC1=CC(=O)N(CCOC)C1=O
InChIInChI=1S/C10H16N2O4/c1-15-5-3-11-8-7-9(13)12(10(8)14)4-6-16-2/h7,11H,3-6H2,1-2H3
InChIKeyQKHZOWBFQOMSEH-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.88
Rot. Bonds7

About 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione

1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione (PubChem CID 43842652) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione
PubChem CID43842652
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione
SMILESCOCCNC1=CC(=O)N(CCOC)C1=O
InChIInChI=1S/C10H16N2O4/c1-15-5-3-11-8-7-9(13)12(10(8)14)4-6-16-2/h7,11H,3-6H2,1-2H3
InChIKeyQKHZOWBFQOMSEH-UHFFFAOYSA-N
XLogP-0.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-Methyl propylaminomaleimide
CID 68150162
1-Butyl-3-(butylamino)-1H-pyrrole-2,5-dione
CID 4512565
1-(2-Hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione
CID 4531075
3-(Ethylamino)-1-methyl-1H-pyrrole-2,5-dione
CID 4512326
Ethyl 3-(butylamino)-2,5-dioxopyrrole-1-carboxylate
CID 12802290
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide
CID 58331311
ethyl N-(1-ethyl-2,5-dioxopyrrol-3-yl)carbamate
CID 68644618
3-[Bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one
CID 91412316
2-(2,5-dioxopyrrol-1-yl)-N-(2-methoxyethyl)acetamide
CID 115586377
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 121412768
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)prop-2-enamide
CID 126550204

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione (CID 43842652) is 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione is COCCNC1=CC(=O)N(CCOC)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione?
The InChIKey is QKHZOWBFQOMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-15-5-3-11-8-7-9(13)12(10(8)14)4-6-16-2/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione?
1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione has a molecular weight of 228.25 g/mol, XLogP of -0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 43842652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).