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

C16H17ClN2O3 — CID 710581

IUPAC3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c(C)c1
InChIInChI=1S/C16H17ClN2O3/c1-10-3-4-12(11(2)9-10)19-15(20)13(17)14(16(19)21)18-5-7-22-8-6-18/h3-4,9H,5-8H2,1-2H3
InChIKeyVKUDCHCJVRYMRJ-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.96
Rot. Bonds2

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

3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 710581) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID710581
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c(C)c1
InChIInChI=1S/C16H17ClN2O3/c1-10-3-4-12(11(2)9-10)19-15(20)13(17)14(16(19)21)18-5-7-22-8-6-18/h3-4,9H,5-8H2,1-2H3
InChIKeyVKUDCHCJVRYMRJ-UHFFFAOYSA-N
XLogP1.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.96
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-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 710581) is 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is VKUDCHCJVRYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-3-4-12(11(2)9-10)19-15(20)13(17)14(16(19)21)18-5-7-22-8-6-18/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 320.78 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 710581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).