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

C12H12N2O5 — CID 14474488

IUPAC1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H12N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-4H,5-8H2
InChIKeyVWGJOEJUQXVFPK-UHFFFAOYSA-N
MW264.24 g/mol
LogP-1.15
Rot. Bonds6

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

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 14474488) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID14474488
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H12N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-4H,5-8H2
InChIKeyVWGJOEJUQXVFPK-UHFFFAOYSA-N
XLogP-1.15
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione (CID 14474488) is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is VWGJOEJUQXVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-4H,5-8H2.
What are the key properties of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 264.24 g/mol, XLogP of -1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 14474488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).