1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

C14H15ClN2O3 — CID 2827714

IUPAC1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c15-10-2-1-3-11(8-10)17-13(18)9-12(14(17)19)16-4-6-20-7-5-16/h1-3,8,12H,4-7,9H2
InChIKeyMTSSENIRHIPGNK-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.30
Rot. Bonds2

About 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 2827714) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID2827714
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c15-10-2-1-3-11(8-10)17-13(18)9-12(14(17)19)16-4-6-20-7-5-16/h1-3,8,12H,4-7,9H2
InChIKeyMTSSENIRHIPGNK-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.30
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 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 2827714) is 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is O=C1CC(N2CCOCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is MTSSENIRHIPGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c15-10-2-1-3-11(8-10)17-13(18)9-12(14(17)19)16-4-6-20-7-5-16/h1-3,8,12H,4-7,9H2.
What are the key properties of 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 294.74 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2827714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).