1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione

C12H17F3N2O2 — CID 115517814

IUPAC1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCCC(F)(F)F)C(=O)N1C1CC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)5-1-2-6-16-9-7-10(18)17(11(9)19)8-3-4-8/h8-9,16H,1-7H2
InChIKeyMQLJMCDIGLCUSB-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.60
Rot. Bonds6

About 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione

1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione (PubChem CID 115517814) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
PubChem CID115517814
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCCC(F)(F)F)C(=O)N1C1CC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)5-1-2-6-16-9-7-10(18)17(11(9)19)8-3-4-8/h8-9,16H,1-7H2
InChIKeyMQLJMCDIGLCUSB-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione (CID 115517814) is 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione is O=C1CC(NCCCCC(F)(F)F)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione?
The InChIKey is MQLJMCDIGLCUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)5-1-2-6-16-9-7-10(18)17(11(9)19)8-3-4-8/h8-9,16H,1-7H2.
What are the key properties of 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione has a molecular weight of 278.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 115517814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).