(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione

C12H13NO2 — CID 921939

IUPAC(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@]1(C)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-8-10(14)13-11(15)12(8,2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15)/t8-,12+/m1/s1
InChIKeyBPAQZGAZYDCWAN-PELKAZGASA-N
MW203.24 g/mol
LogP1.24
Rot. Bonds1

About (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione

(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 921939) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
PubChem CID921939
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@]1(C)c1ccccc1
InChIInChI=1S/C12H13NO2/c1-8-10(14)13-11(15)12(8,2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15)/t8-,12+/m1/s1
InChIKeyBPAQZGAZYDCWAN-PELKAZGASA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione (CID 921939) is (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione is C[C@@H]1C(=O)NC(=O)[C@]1(C)c1ccccc1.
What is the InChIKey of (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is BPAQZGAZYDCWAN-PELKAZGASA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-10(14)13-11(15)12(8,2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15)/t8-,12+/m1/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione?
(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 921939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).