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

C14H16N2O6 — CID 67285787

IUPAC1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione
SMILESCCN1C(=O)C=C(OCCOC2=CC(=O)N(CC)C2=O)C1=O
InChIInChI=1S/C14H16N2O6/c1-3-15-11(17)7-9(13(15)19)21-5-6-22-10-8-12(18)16(4-2)14(10)20/h7-8H,3-6H2,1-2H3
InChIKeyQQTMECFRFZZIES-UHFFFAOYSA-N
MW308.29 g/mol
LogP-0.44
Rot. Bonds7

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

1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione (PubChem CID 67285787) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione
PubChem CID67285787
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione
SMILESCCN1C(=O)C=C(OCCOC2=CC(=O)N(CC)C2=O)C1=O
InChIInChI=1S/C14H16N2O6/c1-3-15-11(17)7-9(13(15)19)21-5-6-22-10-8-12(18)16(4-2)14(10)20/h7-8H,3-6H2,1-2H3
InChIKeyQQTMECFRFZZIES-UHFFFAOYSA-N
XLogP-0.44
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.44
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione (CID 67285787) is 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione is CCN1C(=O)C=C(OCCOC2=CC(=O)N(CC)C2=O)C1=O.
What is the InChIKey of 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
The InChIKey is QQTMECFRFZZIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-3-15-11(17)7-9(13(15)19)21-5-6-22-10-8-12(18)16(4-2)14(10)20/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione?
1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione has a molecular weight of 308.29 g/mol, XLogP of -0.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1-ethyl-2,5-dioxopyrrol-3-yl)oxyethoxy]pyrrole-2,5-dione is sourced from PubChem (CID 67285787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).