(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C19H19NO3 — CID 2176488

IUPAC(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO3/c1-23-17-9-7-15(8-10-17)13-20-18(21)12-16(19(20)22)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m1/s1
InChIKeySWJNFMKJQPCVIQ-MRXNPFEDSA-N
MW309.37 g/mol
LogP2.81
Rot. Bonds5

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

(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2176488) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2176488
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO3/c1-23-17-9-7-15(8-10-17)13-20-18(21)12-16(19(20)22)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m1/s1
InChIKeySWJNFMKJQPCVIQ-MRXNPFEDSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 154994700
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 22292880
(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
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7358149

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 2176488) is (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1.
What is the InChIKey of (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is SWJNFMKJQPCVIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-17-9-7-15(8-10-17)13-20-18(21)12-16(19(20)22)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 309.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2176488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).