1-(2-methoxyethyl)pyrrole-2,5-dione

C7H9NO3 — CID 2759573

IUPAC1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO3/c1-11-5-4-8-6(9)2-3-7(8)10/h2-3H,4-5H2,1H3
InChIKeyASUGWWOMVNVWAW-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.44
Rot. Bonds3

About 1-(2-methoxyethyl)pyrrole-2,5-dione

1-(2-methoxyethyl)pyrrole-2,5-dione (PubChem CID 2759573) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-(2-methoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)pyrrole-2,5-dione
PubChem CID2759573
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO3/c1-11-5-4-8-6(9)2-3-7(8)10/h2-3H,4-5H2,1H3
InChIKeyASUGWWOMVNVWAW-UHFFFAOYSA-N
XLogP-0.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.44
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 1-(2-methoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)pyrrole-2,5-dione (CID 2759573) is 1-(2-methoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)pyrrole-2,5-dione is COCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)pyrrole-2,5-dione?
The InChIKey is ASUGWWOMVNVWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-5-4-8-6(9)2-3-7(8)10/h2-3H,4-5H2,1H3.
What are the key properties of 1-(2-methoxyethyl)pyrrole-2,5-dione?
1-(2-methoxyethyl)pyrrole-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 2759573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).