1-(2-ethoxyethyl)pyrrole-2,5-dione

C8H11NO3 — CID 43591140

IUPAC1-(2-ethoxyethyl)pyrrole-2,5-dione
SMILESCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11NO3/c1-2-12-6-5-9-7(10)3-4-8(9)11/h3-4H,2,5-6H2,1H3
InChIKeyKODJCRJDFMTXET-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds4

About 1-(2-ethoxyethyl)pyrrole-2,5-dione

1-(2-ethoxyethyl)pyrrole-2,5-dione (PubChem CID 43591140) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)pyrrole-2,5-dione
PubChem CID43591140
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(2-ethoxyethyl)pyrrole-2,5-dione
SMILESCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11NO3/c1-2-12-6-5-9-7(10)3-4-8(9)11/h3-4H,2,5-6H2,1H3
InChIKeyKODJCRJDFMTXET-UHFFFAOYSA-N
XLogP-0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Bis-(maleimidoethoxy) ethane
CID 3690297
Ethyl maleimidoacetate
CID 6539156
1-[2-(2-hydroxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19880610
1-(2-Methoxy-ethyl)-pyrrole-2,5-dione
CID 2759573
1,11-Bis(maleimido)-3,6,9-trioxaundecane
CID 3331999
1-[2-(2-aminoethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 91667266
[(2R)-2-(2,5-dioxopyrrol-1-yl)butyl] acetate
CID 57328062
Morpholine, 4-(1-oxo-2-butenyl)-
CID 5463262
1-[2-(Morpholin-4-yl)ethyl]-1H-pyrrole-2,5-dione
CID 13128484
3-[(E)-2-Butenoyl]-1,3-oxazolidin-2-one
CID 5365845
1,1'-(Oxybis(ethane-2,1-diyl))bis(1H-pyrrole-2,5-dione)
CID 14474488
1-(2-methoxyethyl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 43346041

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-ethoxyethyl)pyrrole-2,5-dione (CID 43591140) is 1-(2-ethoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethoxyethyl)pyrrole-2,5-dione is CCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-ethoxyethyl)pyrrole-2,5-dione?
The InChIKey is KODJCRJDFMTXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-12-6-5-9-7(10)3-4-8(9)11/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)pyrrole-2,5-dione?
1-(2-ethoxyethyl)pyrrole-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 43591140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).