3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C16H17ClN2O3 — CID 2790347

IUPAC3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H17ClN2O3/c1-2-11-3-5-12(6-4-11)19-15(20)13(17)14(16(19)21)18-7-9-22-10-8-18/h3-6H,2,7-10H2,1H3
InChIKeyOYTPEXVATMJROZ-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.90
Rot. Bonds3

About 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 2790347) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID2790347
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H17ClN2O3/c1-2-11-3-5-12(6-4-11)19-15(20)13(17)14(16(19)21)18-7-9-22-10-8-18/h3-6H,2,7-10H2,1H3
InChIKeyOYTPEXVATMJROZ-UHFFFAOYSA-N
XLogP1.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 2790347) is 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is CCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is OYTPEXVATMJROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-2-11-3-5-12(6-4-11)19-15(20)13(17)14(16(19)21)18-7-9-22-10-8-18/h3-6H,2,7-10H2,1H3.
What are the key properties of 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 320.78 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 2790347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).