3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione

C12H12ClNO2 — CID 67749051

IUPAC3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
SMILESCC(c1ccc(Cl)cc1)C1CC(=O)NC1=O
InChIInChI=1S/C12H12ClNO2/c1-7(8-2-4-9(13)5-3-8)10-6-11(15)14-12(10)16/h2-5,7,10H,6H2,1H3,(H,14,15,16)
InChIKeyFTSFRNOZJJPSRF-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.11
Rot. Bonds2

About 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione

3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 67749051) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
PubChem CID67749051
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
SMILESCC(c1ccc(Cl)cc1)C1CC(=O)NC1=O
InChIInChI=1S/C12H12ClNO2/c1-7(8-2-4-9(13)5-3-8)10-6-11(15)14-12(10)16/h2-5,7,10H,6H2,1H3,(H,14,15,16)
InChIKeyFTSFRNOZJJPSRF-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione (CID 67749051) is 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione is CC(c1ccc(Cl)cc1)C1CC(=O)NC1=O.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is FTSFRNOZJJPSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7(8-2-4-9(13)5-3-8)10-6-11(15)14-12(10)16/h2-5,7,10H,6H2,1H3,(H,14,15,16).
What are the key properties of 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione?
3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 237.69 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 67749051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).