3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione

C16H19NO3 — CID 126704529

IUPAC3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)C(=O)Cc1ccc(N2C(=O)CC(C)C2=O)cc1
InChIInChI=1S/C16H19NO3/c1-10(2)14(18)9-12-4-6-13(7-5-12)17-15(19)8-11(3)16(17)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyKBCAPBKSQZMHFE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.35
Rot. Bonds4

About 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione

3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 126704529) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione
PubChem CID126704529
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)C(=O)Cc1ccc(N2C(=O)CC(C)C2=O)cc1
InChIInChI=1S/C16H19NO3/c1-10(2)14(18)9-12-4-6-13(7-5-12)17-15(19)8-11(3)16(17)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyKBCAPBKSQZMHFE-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.35
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

2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077
2-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]propanamide
CID 121480765
3-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid
CID 104501884
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632
3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
CID 163496658
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 65345446
1-(3-amino-4-ethylphenyl)-3-methylpyrrolidine-2,5-dione
CID 54905545
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
CID 166462610
diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
CID 6988170
bromomethyl 3-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 143886066
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 61037053

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione (CID 126704529) is 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione is CC(C)C(=O)Cc1ccc(N2C(=O)CC(C)C2=O)cc1.
What is the InChIKey of 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is KBCAPBKSQZMHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)14(18)9-12-4-6-13(7-5-12)17-15(19)8-11(3)16(17)20/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione?
3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 273.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 126704529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).