(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione

C15H19NO2 — CID 134861752

IUPAC(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(c2ccccc2C(C)(C)C)C1=O
InChIInChI=1S/C15H19NO2/c1-10-9-13(17)16(14(10)18)12-8-6-5-7-11(12)15(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyGEFVHMFOTANZHV-JTQLQIEISA-N
MW245.32 g/mol
LogP2.88
Rot. Bonds1

About (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione

(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 134861752) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID134861752
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(c2ccccc2C(C)(C)C)C1=O
InChIInChI=1S/C15H19NO2/c1-10-9-13(17)16(14(10)18)12-8-6-5-7-11(12)15(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyGEFVHMFOTANZHV-JTQLQIEISA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzonitrile
CID 55139505
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 6925391
1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037932
ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
CID 145169692
1-(2-tert-butylphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021896
1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione
CID 171976446
2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenoxy]ethanethioamide
CID 54904897
2-fluoro-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzenecarbothioamide
CID 54904939
4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 59865822
6-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-diazepane-2,4-dione
CID 81070576
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione (CID 134861752) is (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione is C[C@H]1CC(=O)N(c2ccccc2C(C)(C)C)C1=O.
What is the InChIKey of (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is GEFVHMFOTANZHV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-9-13(17)16(14(10)18)12-8-6-5-7-11(12)15(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione?
(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 245.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 134861752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).