1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

C14H16N2O6 — CID 3690297

IUPAC1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
InChIKeyFERLGYOHRKHQJP-UHFFFAOYSA-N
MW308.29 g/mol
LogP-1.13
Rot. Bonds9

About 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 3690297) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID3690297
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
InChIKeyFERLGYOHRKHQJP-UHFFFAOYSA-N
XLogP-1.13
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-hydroxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19880610
1,11-Bis(maleimido)-3,6,9-trioxaundecane
CID 3331999
Bis(maleimidoethoxy)propane
CID 3081158
1,1'-(Oxybis(ethane-2,1-diyl))bis(1H-pyrrole-2,5-dione)
CID 14474488
1-[2-(2-methoxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 15667717
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
1-[2-[2-[2-[2-(2,5-Dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
CID 25267401
(Maleimido)triethylene glycol
CID 66608154
1-[2-[2-[2-(2,5-Dioxopyrrol-1-yl)-2-hydroxyethoxy]ethoxy]-1-hydroxyethyl]pyrrole-2,5-dione
CID 66637241
1-[2-[2-(2-Fluoroethoxy)ethoxy]ethyl]pyrrole-2,5-dione
CID 140237174
1-[3-(2-{2-[3-(2,5-Dioxoazolinyl)propoxy]ethoxy}ethoxy)propyl]azoline-2,5-dion e
CID 4464897
1,1'-(3,6,9,12-Tetraoxatetradecane-1,14-diyl)bis(1H-pyrrole-2,5-dione)
CID 3539874

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 3690297) is 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is FERLGYOHRKHQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2.
What are the key properties of 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 308.29 g/mol, XLogP of -1.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 3690297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).