4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide

C9H11F3N2O4 — CID 142438438

IUPAC4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1(OC(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)18-8(1-2-8)14-7(17)5-4(15)3-13-6(5)16/h4-5,15H,1-3H2,(H,13,16)(H,14,17)
InChIKeyYFDGWLOPAARXSY-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.76
Rot. Bonds3

About 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide

4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide (PubChem CID 142438438) has the molecular formula C9H11F3N2O4 and a molecular weight of 268.19 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide
PubChem CID142438438
Molecular FormulaC9H11F3N2O4
Molecular Weight268.19 g/mol
Exact Mass268.07
IUPAC Name4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1(OC(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)18-8(1-2-8)14-7(17)5-4(15)3-13-6(5)16/h4-5,15H,1-3H2,(H,13,16)(H,14,17)
InChIKeyYFDGWLOPAARXSY-UHFFFAOYSA-N
XLogP-0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide (CID 142438438) is 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NC1(OC(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide?
The InChIKey is YFDGWLOPAARXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4/c10-9(11,12)18-8(1-2-8)14-7(17)5-4(15)3-13-6(5)16/h4-5,15H,1-3H2,(H,13,16)(H,14,17).
What are the key properties of 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide?
4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide has a molecular weight of 268.19 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 142438438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).