3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

C13H14ClNO2 — CID 14181830

IUPAC3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)CC(Cl)C2=O)c(C)c1
InChIInChI=1S/C13H14ClNO2/c1-7-4-8(2)12(9(3)5-7)15-11(16)6-10(14)13(15)17/h4-5,10H,6H2,1-3H3
InChIKeyDBCPKXWMPWFWSK-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.48
Rot. Bonds1

About 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 14181830) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
PubChem CID14181830
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)CC(Cl)C2=O)c(C)c1
InChIInChI=1S/C13H14ClNO2/c1-7-4-8(2)12(9(3)5-7)15-11(16)6-10(14)13(15)17/h4-5,10H,6H2,1-3H3
InChIKeyDBCPKXWMPWFWSK-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (CID 14181830) is 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is Cc1cc(C)c(N2C(=O)CC(Cl)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is DBCPKXWMPWFWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-7-4-8(2)12(9(3)5-7)15-11(16)6-10(14)13(15)17/h4-5,10H,6H2,1-3H3.
What are the key properties of 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 251.71 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 14181830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).