(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione

C18H17NO2 — CID 6935576

IUPAC(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17NO2/c1-13-7-9-16(10-8-13)19-17(20)12-15(18(19)21)11-14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-/m1/s1
InChIKeyDPKGUYKPSUEDAI-OAHLLOKOSA-N
MW279.34 g/mol
LogP3.12
Rot. Bonds3

About (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione

(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 6935576) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID6935576
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17NO2/c1-13-7-9-16(10-8-13)19-17(20)12-15(18(19)21)11-14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-/m1/s1
InChIKeyDPKGUYKPSUEDAI-OAHLLOKOSA-N
XLogP3.12
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 ≤ 53.12
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

(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
ethyl 4-(3-benzyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 3709959
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
(3R)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969674
(3S)-3-benzyl-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 969675
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(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
(3S)-3-[(4-methylphenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846261

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 6935576) is (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1.
What is the InChIKey of (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is DPKGUYKPSUEDAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-7-9-16(10-8-13)19-17(20)12-15(18(19)21)11-14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione?
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 279.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 6935576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).