3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione

C15H17NO3 — CID 79181540

IUPAC3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C(=O)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C15H17NO3/c1-9-6-4-5-7-12(9)13(17)8-16-14(18)10(2)11(3)15(16)19/h4-7,10-11H,8H2,1-3H3
InChIKeyQTGIVOGITQPDIU-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.82
Rot. Bonds3

About 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 79181540) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID79181540
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C(=O)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C15H17NO3/c1-9-6-4-5-7-12(9)13(17)8-16-14(18)10(2)11(3)15(16)19/h4-7,10-11H,8H2,1-3H3
InChIKeyQTGIVOGITQPDIU-UHFFFAOYSA-N
XLogP1.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62024351
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
5-ethyl-5-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62024810
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178976
3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 21201718
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
4,6-dichloro-1-[2-(2-methylphenyl)-2-oxoethyl]indole-2,3-dione
CID 139773515
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
2-[2-(2-bromophenyl)-2-oxoethyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513632

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 79181540) is 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione is Cc1ccccc1C(=O)CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is QTGIVOGITQPDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-6-4-5-7-12(9)13(17)8-16-14(18)10(2)11(3)15(16)19/h4-7,10-11H,8H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 259.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 79181540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).