(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

C19H19NO2 — CID 785093

IUPAC(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO2/c1-14-7-9-15(10-8-14)11-17-12-18(21)20(19(17)22)13-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3/t17-/m0/s1
InChIKeyQBEFMFXSGXRVKL-KRWDZBQOSA-N
MW293.37 g/mol
LogP3.11
Rot. Bonds4

About (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 785093) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID785093
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO2/c1-14-7-9-15(10-8-14)11-17-12-18(21)20(19(17)22)13-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3/t17-/m0/s1
InChIKeyQBEFMFXSGXRVKL-KRWDZBQOSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.11
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)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione
CID 7343763
3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
CID 91651949
(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
CID 795693
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
CID 11191037
(3S)-1-(2-iodophenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 1369685
(3S)-3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2002534

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 785093) is (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(C[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is QBEFMFXSGXRVKL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-7-9-15(10-8-14)11-17-12-18(21)20(19(17)22)13-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 785093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).