1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione

C12H12N2O5 — CID 19913480

IUPAC1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione
SMILESCCN1C(=O)C=C(OC2=CC(=O)N(CC)C2=O)C1=O
InChIInChI=1S/C12H12N2O5/c1-3-13-9(15)5-7(11(13)17)19-8-6-10(16)14(4-2)12(8)18/h5-6H,3-4H2,1-2H3
InChIKeyKCUNZEQCYMHWPM-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.45
Rot. Bonds4

About 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione

1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione (PubChem CID 19913480) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione
PubChem CID19913480
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione
SMILESCCN1C(=O)C=C(OC2=CC(=O)N(CC)C2=O)C1=O
InChIInChI=1S/C12H12N2O5/c1-3-13-9(15)5-7(11(13)17)19-8-6-10(16)14(4-2)12(8)18/h5-6H,3-4H2,1-2H3
InChIKeyKCUNZEQCYMHWPM-UHFFFAOYSA-N
XLogP-0.45
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-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 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione (CID 19913480) is 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione is CCN1C(=O)C=C(OC2=CC(=O)N(CC)C2=O)C1=O.
What is the InChIKey of 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione?
The InChIKey is KCUNZEQCYMHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-3-13-9(15)5-7(11(13)17)19-8-6-10(16)14(4-2)12(8)18/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione?
1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione has a molecular weight of 264.24 g/mol, XLogP of -0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione is sourced from PubChem (CID 19913480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).