N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

C11H16F3N3O2 — CID 119324335

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)C1CCCN1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)6-17-5-3-8(10(17)19)16-9(18)7-2-1-4-15-7/h7-8,15H,1-6H2,(H,16,18)
InChIKeyPTWQYCCJTQZUCS-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.02
Rot. Bonds3

About N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 119324335) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID119324335
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)C1CCCN1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)6-17-5-3-8(10(17)19)16-9(18)7-2-1-4-15-7/h7-8,15H,1-6H2,(H,16,18)
InChIKeyPTWQYCCJTQZUCS-UHFFFAOYSA-N
XLogP0.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119324325
(2S)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119322682
N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
CID 104954776
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793212
3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 128853403
N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119876342
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 120932603
6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 127391213
2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride
CID 119324342
2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 119784835
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119341782
N-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 88940230

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 119324335) is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1=O)C1CCCN1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is PTWQYCCJTQZUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)6-17-5-3-8(10(17)19)16-9(18)7-2-1-4-15-7/h7-8,15H,1-6H2,(H,16,18).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 279.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119324335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).