(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione

C11H11NO2 — CID 917022

IUPAC(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
SMILESC[C@H]1C(=O)NC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13,14)/t7-,9+/m1/s1
InChIKeyBCLBGXKRVJVNMU-APPZFPTMSA-N
MW189.21 g/mol
LogP1.06
Rot. Bonds1

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

(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione (PubChem CID 917022) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
PubChem CID917022
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
SMILESC[C@H]1C(=O)NC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13,14)/t7-,9+/m1/s1
InChIKeyBCLBGXKRVJVNMU-APPZFPTMSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.06
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

(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
CID 14796237
6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 140892299
(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
CID 139509999
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 106694879
(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
CID 15432500
(5R,6S)-1,5,6-triphenyl-2-sulfanylidene-1,3-diazinan-4-one
CID 40634429
(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 94189298

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione (CID 917022) is (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione is C[C@H]1C(=O)NC(=O)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione?
The InChIKey is BCLBGXKRVJVNMU-APPZFPTMSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-9(11(14)12-10(7)13)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13,14)/t7-,9+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione?
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 917022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).