3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione

C17H20N2O3 — CID 110559456

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(C)C2=O)CC(C)O1
InChIInChI=1S/C17H20N2O3/c1-11-9-19(10-12(2)22-11)15-14(13-7-5-4-6-8-13)16(20)18(3)17(15)21/h4-8,11-12H,9-10H2,1-3H3
InChIKeyOHVIQJQNBIUPFJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.51
Rot. Bonds2

About 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione (PubChem CID 110559456) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
PubChem CID110559456
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(C)C2=O)CC(C)O1
InChIInChI=1S/C17H20N2O3/c1-11-9-19(10-12(2)22-11)15-14(13-7-5-4-6-8-13)16(20)18(3)17(15)21/h4-8,11-12H,9-10H2,1-3H3
InChIKeyOHVIQJQNBIUPFJ-UHFFFAOYSA-N
XLogP1.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575238
3-(2,6-dimethylmorpholin-4-yl)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561409
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543204
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110558966
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560513
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559861
1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561986
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561291

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione (CID 110559456) is 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione is CC1CN(C2=C(c3ccccc3)C(=O)N(C)C2=O)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione?
The InChIKey is OHVIQJQNBIUPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-9-19(10-12(2)22-11)15-14(13-7-5-4-6-8-13)16(20)18(3)17(15)21/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione has a molecular weight of 300.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).