5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

C8H11F3N2O3 — CID 103726148

IUPAC5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC(O)C(F)(F)F)CN1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5(14)3-13-7(16)4-1-6(15)12-2-4/h4-5,14H,1-3H2,(H,12,15)(H,13,16)
InChIKeyMXIFBCZRSJDIII-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.84
Rot. Bonds3

About 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (PubChem CID 103726148) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
PubChem CID103726148
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC(O)C(F)(F)F)CN1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5(14)3-13-7(16)4-1-6(15)12-2-4/h4-5,14H,1-3H2,(H,12,15)(H,13,16)
InChIKeyMXIFBCZRSJDIII-UHFFFAOYSA-N
XLogP-0.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (CID 103726148) is 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)NCC(O)C(F)(F)F)CN1.
What is the InChIKey of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is MXIFBCZRSJDIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)5(14)3-13-7(16)4-1-6(15)12-2-4/h4-5,14H,1-3H2,(H,12,15)(H,13,16).
What are the key properties of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 240.18 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103726148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).