(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione

C13H15NO2 — CID 98079235

IUPAC(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESC[C@H](c1ccccc1)[C@H]1CC(=O)N(C)C1=O
InChIInChI=1S/C13H15NO2/c1-9(10-6-4-3-5-7-10)11-8-12(15)14(2)13(11)16/h3-7,9,11H,8H2,1-2H3/t9-,11-/m1/s1
InChIKeyRRUFUWREHWOCAK-MWLCHTKSSA-N
MW217.27 g/mol
LogP1.79
Rot. Bonds2

About (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione

(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 98079235) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
PubChem CID98079235
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESC[C@H](c1ccccc1)[C@H]1CC(=O)N(C)C1=O
InChIInChI=1S/C13H15NO2/c1-9(10-6-4-3-5-7-10)11-8-12(15)14(2)13(11)16/h3-7,9,11H,8H2,1-2H3/t9-,11-/m1/s1
InChIKeyRRUFUWREHWOCAK-MWLCHTKSSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 671190
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 970048
4-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]benzoic acid
CID 2973798
4-[(3R)-2,5-dioxo-3-[(1S)-1-phenylethyl]pyrrolidin-1-yl]benzoic acid
CID 1250566
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 1119999
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818
(3R)-1-(4-ethoxyphenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 774582
(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 1091344
(3R)-1-(1,3-benzothiazol-2-yl)-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7335607
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903
4-(1-phenylethyl)cyclopentane-1,3-dione
CID 58697779

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione (CID 98079235) is (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione is C[C@H](c1ccccc1)[C@H]1CC(=O)N(C)C1=O.
What is the InChIKey of (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is RRUFUWREHWOCAK-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(10-6-4-3-5-7-10)11-8-12(15)14(2)13(11)16/h3-7,9,11H,8H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione?
(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 98079235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).