1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione

C21H25FN2O3 — CID 45169961

IUPAC1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCCC1
InChIInChI=1S/C21H25FN2O3/c22-16-7-5-6-15(12-16)21(13-18(25)23-10-3-4-11-23)14-19(26)24(20(21)27)17-8-1-2-9-17/h5-7,12,17H,1-4,8-11,13-14H2
InChIKeyUCCGENINVPLIQL-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.78
Rot. Bonds4

About 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione

1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione (PubChem CID 45169961) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione
PubChem CID45169961
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCCC1
InChIInChI=1S/C21H25FN2O3/c22-16-7-5-6-15(12-16)21(13-18(25)23-10-3-4-11-23)14-19(26)24(20(21)27)17-8-1-2-9-17/h5-7,12,17H,1-4,8-11,13-14H2
InChIKeyUCCGENINVPLIQL-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione (CID 45169961) is 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione is O=C(CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is UCCGENINVPLIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-16-7-5-6-15(12-16)21(13-18(25)23-10-3-4-11-23)14-19(26)24(20(21)27)17-8-1-2-9-17/h5-7,12,17H,1-4,8-11,13-14H2.
What are the key properties of 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 372.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45169961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).