(3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione

C15H13NO4 — CID 102315169

IUPAC(3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione
SMILESC[C@@]1([C@H]2CC(=O)N(c3ccccc3)C2=O)C=CC(=O)O1
InChIInChI=1S/C15H13NO4/c1-15(8-7-13(18)20-15)11-9-12(17)16(14(11)19)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3/t11-,15-/m0/s1
InChIKeyFTOZFQMWLHVRPZ-NHYWBVRUSA-N
MW271.27 g/mol
LogP1.44
Rot. Bonds2

About (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione

(3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 102315169) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID102315169
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione
SMILESC[C@@]1([C@H]2CC(=O)N(c3ccccc3)C2=O)C=CC(=O)O1
InChIInChI=1S/C15H13NO4/c1-15(8-7-13(18)20-15)11-9-12(17)16(14(11)19)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3/t11-,15-/m0/s1
InChIKeyFTOZFQMWLHVRPZ-NHYWBVRUSA-N
XLogP1.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
3-[(2R,4S)-2-tert-butyl-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1-phenylpyrrolidine-2,5-dione
CID 54672476
1-(4-bromophenyl)-3-(3-methyl-5-oxo-1,4-diphenylpyrazol-4-yl)pyrrolidine-2,5-dione
CID 139259651
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
(3aR,4R,7S,7aR)-4,7-dimethyl-2-(4-phenylphenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 7030838
(3aS,4R,5S,7aS)-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4,7-diethyl-5-methyl-2-phenyl-4,7a-dihydro-3aH-isoindole-1,3-dione
CID 155807592
(3R)-3-(4-methylpiperidin-1-ium-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 6922087
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione (CID 102315169) is (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione is C[C@@]1([C@H]2CC(=O)N(c3ccccc3)C2=O)C=CC(=O)O1.
What is the InChIKey of (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is FTOZFQMWLHVRPZ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H13NO4/c1-15(8-7-13(18)20-15)11-9-12(17)16(14(11)19)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3/t11-,15-/m0/s1.
What are the key properties of (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione?
(3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 271.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-methyl-5-oxofuran-2-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 102315169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).