3-ethoxy-1-ethylpyrrole-2,5-dione

C8H11NO3 — CID 174672722

IUPAC3-ethoxy-1-ethylpyrrole-2,5-dione
SMILESCCOC1=CC(=O)N(CC)C1=O
InChIInChI=1S/C8H11NO3/c1-3-9-7(10)5-6(8(9)11)12-4-2/h5H,3-4H2,1-2H3
InChIKeyCGZYTICVXUOULM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.30
Rot. Bonds3

About 3-ethoxy-1-ethylpyrrole-2,5-dione

3-ethoxy-1-ethylpyrrole-2,5-dione (PubChem CID 174672722) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-ethoxy-1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethoxy-1-ethylpyrrole-2,5-dione
PubChem CID174672722
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-ethoxy-1-ethylpyrrole-2,5-dione
SMILESCCOC1=CC(=O)N(CC)C1=O
InChIInChI=1S/C8H11NO3/c1-3-9-7(10)5-6(8(9)11)12-4-2/h5H,3-4H2,1-2H3
InChIKeyCGZYTICVXUOULM-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-ethoxy-1-ethylpyrrole-2,5-dione (CID 174672722) is 3-ethoxy-1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-ethoxy-1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-ethoxy-1-ethylpyrrole-2,5-dione is CCOC1=CC(=O)N(CC)C1=O.
What is the InChIKey of 3-ethoxy-1-ethylpyrrole-2,5-dione?
The InChIKey is CGZYTICVXUOULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-9-7(10)5-6(8(9)11)12-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-1-ethylpyrrole-2,5-dione?
3-ethoxy-1-ethylpyrrole-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 174672722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).