(3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione

C14H17NO2 — CID 58461754

IUPAC(3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C14H17NO2/c1-10-11(2)14(17)15(13(10)16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyPUGPJFHPYHWISS-PHIMTYICSA-N
MW231.30 g/mol
LogP1.87
Rot. Bonds3

About (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione

(3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 58461754) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID58461754
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C14H17NO2/c1-10-11(2)14(17)15(13(10)16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyPUGPJFHPYHWISS-PHIMTYICSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 58461754) is (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione is C[C@@H]1C(=O)N(CCc2ccccc2)C(=O)[C@@H]1C.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is PUGPJFHPYHWISS-PHIMTYICSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-11(2)14(17)15(13(10)16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11+.
What are the key properties of (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
(3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 231.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58461754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).