4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C11H15F3N2O3 — CID 79030870

IUPAC4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC[C@H](O)C2)CN1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16-4-7(3-9(16)18)10(19)15-2-1-8(17)5-15/h7-8,17H,1-6H2/t7?,8-/m0/s1
InChIKeyCEZFSVQVXLFUHK-MQWKRIRWSA-N
MW280.25 g/mol
LogP-0.01
Rot. Bonds2

About 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 79030870) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID79030870
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC[C@H](O)C2)CN1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16-4-7(3-9(16)18)10(19)15-2-1-8(17)5-15/h7-8,17H,1-6H2/t7?,8-/m0/s1
InChIKeyCEZFSVQVXLFUHK-MQWKRIRWSA-N
XLogP-0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 67293819
[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293822
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293829
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 67293830
Tert-butyl 3-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 123417438
1-(3-Hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one
CID 140736707
tert-butyl (3R)-3-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 144223123
N-(2-hydroxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55060626
4-(3-Hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 55179168
N-(2-hydroxyethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60749980
N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61233794
4-[3-(Hydroxymethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 62372361

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 79030870) is 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CC[C@H](O)C2)CN1CC(F)(F)F.
What is the InChIKey of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is CEZFSVQVXLFUHK-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)6-16-4-7(3-9(16)18)10(19)15-2-1-8(17)5-15/h7-8,17H,1-6H2/t7?,8-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 280.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 79030870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).