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

C9H11F3N2O3 — CID 142438408

IUPAC4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2O3/c10-9(11,12)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)
InChIKeyCKWNNZRDXGOZOA-UHFFFAOYSA-N
MW252.19 g/mol
LogP-0.70
Rot. Bonds2

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

4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide (PubChem CID 142438408) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
PubChem CID142438408
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2O3/c10-9(11,12)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)
InChIKeyCKWNNZRDXGOZOA-UHFFFAOYSA-N
XLogP-0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438416
ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane
CID 142438437
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 142438446
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438461
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 142438491
5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103726148
1-(cyclopropylmethyl)-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103726373
1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103726415
1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 103769910
1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 103770123
N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 103770148
N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103809695

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide (CID 142438408) is 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide?
The InChIKey is CKWNNZRDXGOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c10-9(11,12)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-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide?
4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide has a molecular weight of 252.19 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 142438408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).