3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione

C14H16N2O6 — CID 171059536

IUPAC3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione
SMILESCCC1=C(OC(C)OC2=C(CC)C(=O)NC2=O)C(=O)NC1=O
InChIInChI=1S/C14H16N2O6/c1-4-7-9(13(19)15-11(7)17)21-6(3)22-10-8(5-2)12(18)16-14(10)20/h6H,4-5H2,1-3H3,(H,15,17,19)(H,16,18,20)
InChIKeyAYOMHQBENJVUBC-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.01
Rot. Bonds6

About 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione

3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione (PubChem CID 171059536) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione
PubChem CID171059536
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione
SMILESCCC1=C(OC(C)OC2=C(CC)C(=O)NC2=O)C(=O)NC1=O
InChIInChI=1S/C14H16N2O6/c1-4-7-9(13(19)15-11(7)17)21-6(3)22-10-8(5-2)12(18)16-14(10)20/h6H,4-5H2,1-3H3,(H,15,17,19)(H,16,18,20)
InChIKeyAYOMHQBENJVUBC-UHFFFAOYSA-N
XLogP0.01
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
The IUPAC name of 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione (CID 171059536) is 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione.
What is the SMILES notation for 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
The canonical SMILES for 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione is CCC1=C(OC(C)OC2=C(CC)C(=O)NC2=O)C(=O)NC1=O.
What is the InChIKey of 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
The InChIKey is AYOMHQBENJVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-4-7-9(13(19)15-11(7)17)21-6(3)22-10-8(5-2)12(18)16-14(10)20/h6H,4-5H2,1-3H3,(H,15,17,19)(H,16,18,20).
What are the key properties of 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione has a molecular weight of 308.29 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-(4-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione is sourced from PubChem (CID 171059536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).