(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione

C18H17NO2 — CID 102187715

IUPAC(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESC[C@]1(c2ccccc2)CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H17NO2/c1-18(15-10-6-3-7-11-15)12-16(20)19(17(18)21)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3/t18-/m1/s1
InChIKeyFGRLUYXPMCPRQI-GOSISDBHSA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds3

About (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione

(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 102187715) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID102187715
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESC[C@]1(c2ccccc2)CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H17NO2/c1-18(15-10-6-3-7-11-15)12-16(20)19(17(18)21)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3/t18-/m1/s1
InChIKeyFGRLUYXPMCPRQI-GOSISDBHSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
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

1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
CID 70675866
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 60977307
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 62663417
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 70675869
methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 124614160
1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122138338
3-benzyl-5,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 10904013
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122190142
(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione
CID 101472182
1-(1-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 65191301
2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
CID 43437460

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 102187715) is (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione is C[C@]1(c2ccccc2)CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is FGRLUYXPMCPRQI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(15-10-6-3-7-11-15)12-16(20)19(17(18)21)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione?
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 279.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 102187715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).