(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione

C11H11NO2 — CID 91421764

IUPAC(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)CC1=O
InChIInChI=1S/C11H11NO2/c1-11(8-5-3-2-4-6-8)9(13)7-10(14)12-11/h2-6H,7H2,1H3,(H,12,14)/t11-/m0/s1
InChIKeyDFUUYTMXEWFKAH-NSHDSACASA-N
MW189.21 g/mol
LogP0.99
Rot. Bonds1

About (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione

(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione (PubChem CID 91421764) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
PubChem CID91421764
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)CC1=O
InChIInChI=1S/C11H11NO2/c1-11(8-5-3-2-4-6-8)9(13)7-10(14)12-11/h2-6H,7H2,1H3,(H,12,14)/t11-/m0/s1
InChIKeyDFUUYTMXEWFKAH-NSHDSACASA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.99
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

5,5-diphenylpyrrolidine-2,4-dione
CID 58992525
3,7-dimethyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64884255
(3S)-3-methyl-3-phenylpiperazin-2-one
CID 94410308
5,5-dimethylpyrrolidine-2,4-dione
CID 13346709
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64881358
1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 81110235
3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64884629
5-methyl-5-phenylcyclohexane-1,3-dione
CID 21286276
3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64881353
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965769
1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 64971848

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione (CID 91421764) is (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione is C[C@@]1(c2ccccc2)NC(=O)CC1=O.
What is the InChIKey of (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione?
The InChIKey is DFUUYTMXEWFKAH-NSHDSACASA-N. The full InChI is InChI=1S/C11H11NO2/c1-11(8-5-3-2-4-6-8)9(13)7-10(14)12-11/h2-6H,7H2,1H3,(H,12,14)/t11-/m0/s1.
What are the key properties of (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione?
(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione has a molecular weight of 189.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-phenylpyrrolidine-2,4-dione is sourced from PubChem (CID 91421764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).