5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one

C20H28ClN3O2 — CID 46289238

IUPAC5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one
SMILESCC(C)(C)/N=C1/C(N2CCOCC2)C(C)(C)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClN3O2/c1-19(2,3)22-17-16(23-10-12-26-13-11-23)20(4,5)18(25)24(17)15-8-6-14(21)7-9-15/h6-9,16H,10-13H2,1-5H3/b22-17-
InChIKeyZYGZCLWOOUOFHO-XLNRJJMWSA-N
MW377.92 g/mol
LogP3.61
Rot. Bonds2

About 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one

5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one (PubChem CID 46289238) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one
PubChem CID46289238
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one
SMILESCC(C)(C)/N=C1/C(N2CCOCC2)C(C)(C)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClN3O2/c1-19(2,3)22-17-16(23-10-12-26-13-11-23)20(4,5)18(25)24(17)15-8-6-14(21)7-9-15/h6-9,16H,10-13H2,1-5H3/b22-17-
InChIKeyZYGZCLWOOUOFHO-XLNRJJMWSA-N
XLogP3.61
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one?
The IUPAC name of 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one (CID 46289238) is 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one?
The canonical SMILES for 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one is CC(C)(C)/N=C1/C(N2CCOCC2)C(C)(C)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one?
The InChIKey is ZYGZCLWOOUOFHO-XLNRJJMWSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-19(2,3)22-17-16(23-10-12-26-13-11-23)20(4,5)18(25)24(17)15-8-6-14(21)7-9-15/h6-9,16H,10-13H2,1-5H3/b22-17-.
What are the key properties of 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one?
5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one has a molecular weight of 377.92 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylimino-1-(4-chlorophenyl)-3,3-dimethyl-4-morpholin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 46289238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).