(5S)-5-benzylpyrrolidine-2,4-dione

C11H11NO2 — CID 82404721

IUPAC(5S)-5-benzylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H11NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
InChIKeyKXJCIAXLTIETRA-VIFPVBQESA-N
MW189.21 g/mol
LogP0.69
Rot. Bonds2

About (5S)-5-benzylpyrrolidine-2,4-dione

(5S)-5-benzylpyrrolidine-2,4-dione (PubChem CID 82404721) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (5S)-5-benzylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzylpyrrolidine-2,4-dione
PubChem CID82404721
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(5S)-5-benzylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H11NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
InChIKeyKXJCIAXLTIETRA-VIFPVBQESA-N
XLogP0.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-benzylpiperazine-2,5-dione
CID 928691
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
6-benzylpiperazine-2,3,5-trione
CID 14446168
3-benzyl-1-cyclobutylpiperazine-2,5-dione
CID 64969345
(3R,7S,10R,14S)-7,14-dibenzyl-3,10-bis(sulfanylmethyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone
CID 167097692
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
(5R)-5-benzylpyrrolidin-2-one
CID 740530
trans-(6S,21S)-3,6,18,21-tetrabenzyl-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone
CID 177459513
(5S)-5-benzylimidazolidin-4-one
CID 174267947
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione
CID 64881777

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzylpyrrolidine-2,4-dione?
The IUPAC name of (5S)-5-benzylpyrrolidine-2,4-dione (CID 82404721) is (5S)-5-benzylpyrrolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzylpyrrolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzylpyrrolidine-2,4-dione is O=C1CC(=O)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (5S)-5-benzylpyrrolidine-2,4-dione?
The InChIKey is KXJCIAXLTIETRA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1.
What are the key properties of (5S)-5-benzylpyrrolidine-2,4-dione?
(5S)-5-benzylpyrrolidine-2,4-dione has a molecular weight of 189.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzylpyrrolidine-2,4-dione is sourced from PubChem (CID 82404721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).