(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione

C16H15NO3 — CID 795693

IUPAC(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H15NO3/c18-15-10-13(9-12-5-2-1-3-6-12)16(19)17(15)11-14-7-4-8-20-14/h1-8,13H,9-11H2/t13-/m0/s1
InChIKeyPZFYCYIQMGPHPA-ZDUSSCGKSA-N
MW269.30 g/mol
LogP2.40
Rot. Bonds4

About (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione

(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 795693) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID795693
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H15NO3/c18-15-10-13(9-12-5-2-1-3-6-12)16(19)17(15)11-14-7-4-8-20-14/h1-8,13H,9-11H2/t13-/m0/s1
InChIKeyPZFYCYIQMGPHPA-ZDUSSCGKSA-N
XLogP2.40
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
(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
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
(3aR,4S,7R,7aR)-2-(furan-2-ylmethyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 27451087
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685
(1S,2S,6R,7S)-4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575713
(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 725535
1,8-dibromo-17-(furan-2-ylmethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 5122182

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione (CID 795693) is (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione is O=C1C[C@H](Cc2ccccc2)C(=O)N1Cc1ccco1.
What is the InChIKey of (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is PZFYCYIQMGPHPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15-10-13(9-12-5-2-1-3-6-12)16(19)17(15)11-14-7-4-8-20-14/h1-8,13H,9-11H2/t13-/m0/s1.
What are the key properties of (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 795693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).