1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C17H20N2O4 — CID 110565875

IUPAC1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-3-19-16(20)14(12-6-4-5-7-13(12)22-2)15(17(19)21)18-8-10-23-11-9-18/h4-7H,3,8-11H2,1-2H3
InChIKeyGYBLUNVNMMOIOM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.13
Rot. Bonds4

About 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110565875) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110565875
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-3-19-16(20)14(12-6-4-5-7-13(12)22-2)15(17(19)21)18-8-10-23-11-9-18/h4-7H,3,8-11H2,1-2H3
InChIKeyGYBLUNVNMMOIOM-UHFFFAOYSA-N
XLogP1.13
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110565875) is 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is CCN1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O.
What is the InChIKey of 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is GYBLUNVNMMOIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-19-16(20)14(12-6-4-5-7-13(12)22-2)15(17(19)21)18-8-10-23-11-9-18/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110565875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).