(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione

C16H19BrN2O3 — CID 7784115

IUPAC(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@H](C)O1
InChIInChI=1S/C16H19BrN2O3/c1-10-8-18(9-11(2)22-10)14-7-15(20)19(16(14)21)13-5-3-12(17)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3/t10-,11+,14-/m1/s1
InChIKeyHJFDSTNLZRCRPS-UHIISALHSA-N
MW367.24 g/mol
LogP2.19
Rot. Bonds2

About (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione

(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione (PubChem CID 7784115) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
PubChem CID7784115
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@H](C)O1
InChIInChI=1S/C16H19BrN2O3/c1-10-8-18(9-11(2)22-10)14-7-15(20)19(16(14)21)13-5-3-12(17)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3/t10-,11+,14-/m1/s1
InChIKeyHJFDSTNLZRCRPS-UHIISALHSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.19
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

(3S)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 8008090
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 3139865
(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 1202052
(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 1034992
ethyl 4-[(3S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1048448
1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 3116096
(3S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 100911154
3-(2,6-dimethylmorpholin-4-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 2927932
(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 124717691
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 5172400

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione (CID 7784115) is (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione is C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@H](C)O1.
What is the InChIKey of (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
The InChIKey is HJFDSTNLZRCRPS-UHIISALHSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-10-8-18(9-11(2)22-10)14-7-15(20)19(16(14)21)13-5-3-12(17)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3/t10-,11+,14-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione has a molecular weight of 367.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7784115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).