3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione

C12H12ClNO2 — CID 106695027

IUPAC3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C2C(=O)NC(=O)C2Cl)c(C)c1
InChIInChI=1S/C12H12ClNO2/c1-6-3-4-8(7(2)5-6)9-10(13)12(16)14-11(9)15/h3-5,9-10H,1-2H3,(H,14,15,16)
InChIKeyRAKZAYCCOJDFKA-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.65
Rot. Bonds1

About 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione

3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 106695027) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID106695027
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C2C(=O)NC(=O)C2Cl)c(C)c1
InChIInChI=1S/C12H12ClNO2/c1-6-3-4-8(7(2)5-6)9-10(13)12(16)14-11(9)15/h3-5,9-10H,1-2H3,(H,14,15,16)
InChIKeyRAKZAYCCOJDFKA-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
CID 106695025
3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 106695023
3-(4-bromo-3-methylphenyl)-4-chloropyrrolidine-2,5-dione
CID 106694895
6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
CID 54018694
3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
CID 106695184
3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695138
3-amino-4-(2,4-dimethylphenyl)azetidin-2-one
CID 82403930
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one
CID 56637248
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
3-bromo-4-(4-methyl-2-nitrophenyl)pyrrolidine-2,5-dione
CID 106695220
3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione
CID 19975272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (CID 106695027) is 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is Cc1ccc(C2C(=O)NC(=O)C2Cl)c(C)c1.
What is the InChIKey of 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is RAKZAYCCOJDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-6-3-4-8(7(2)5-6)9-10(13)12(16)14-11(9)15/h3-5,9-10H,1-2H3,(H,14,15,16).
What are the key properties of 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 237.69 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106695027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).