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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Related Compounds

2H-Pyrrol-2-one, 1-acetyl-1,5-dihydro-4-methoxy-(9CI)
CID 45086027
N-Methylmethoxy-maleinimid
CID 44718963
4-Ethoxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 13193727
2-ethoxy-N-methyl-N-propylacrylamide
CID 85969611
3-Methoxy-1-pent-4-enylpyrrole-2,5-dione
CID 101445557
1-Ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione
CID 19913480
2-Maleimidoethyl vinyl ether
CID 19987079
3-[2-(2,5-Dioxo-1-propylpyrrol-3-yl)oxyethoxy]-1-propylpyrrole-2,5-dione
CID 21909524
1-(2-Ethoxyethyl)pyrrole-2,5-dione
CID 43591140
1H-Pyrrole-2,5-dione, 1-(2-propoxyethyl)-
CID 58785859
1-(2-Butoxyethyl)pyrrole-2,5-dione
CID 61882160
4-methoxy-1-propan-2-yl-2H-pyrrol-5-one
CID 66789780

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).