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

C11H15F3N2O3 — CID 103726415

IUPAC1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)8(17)4-15-10(19)6-3-9(18)16(5-6)7-1-2-7/h6-8,17H,1-5H2,(H,15,19)
InChIKeyOBZIVTHIVOSCQV-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.04
Rot. Bonds4

About 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (PubChem CID 103726415) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
PubChem CID103726415
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)8(17)4-15-10(19)6-3-9(18)16(5-6)7-1-2-7/h6-8,17H,1-5H2,(H,15,19)
InChIKeyOBZIVTHIVOSCQV-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 67293830
4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438408
N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438416
N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419594
N-(3-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419680
N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419704
N-(2-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427732
N-(1-hydroxypropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427756
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43500686
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63005863
N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63295341

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (CID 103726415) is 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is O=C(NCC(O)C(F)(F)F)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is OBZIVTHIVOSCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)8(17)4-15-10(19)6-3-9(18)16(5-6)7-1-2-7/h6-8,17H,1-5H2,(H,15,19).
What are the key properties of 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103726415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).