(4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C16H19F3N2O3 — CID 125130244

IUPAC(4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)o1
InChIInChI=1S/C16H19F3N2O3/c1-10-4-5-13(24-10)12-3-2-6-21(12)15(23)11-7-14(22)20(8-11)9-16(17,18)19/h4-5,11-12H,2-3,6-9H2,1H3/t11-,12-/m0/s1
InChIKeyVDFZLBHWDUNGJU-RYUDHWBXSA-N
MW344.33 g/mol
LogP2.66
Rot. Bonds3

About (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 125130244) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID125130244
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)o1
InChIInChI=1S/C16H19F3N2O3/c1-10-4-5-13(24-10)12-3-2-6-21(12)15(23)11-7-14(22)20(8-11)9-16(17,18)19/h4-5,11-12H,2-3,6-9H2,1H3/t11-,12-/m0/s1
InChIKeyVDFZLBHWDUNGJU-RYUDHWBXSA-N
XLogP2.66
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95606236
(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95346391
(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94136051
(4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124504954
(4S)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124504956
(4R)-4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95342489
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
(4S)-4-[(4R)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808600
(4S)-4-[(2R,3aS,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124731997
[2-(5-methylfuran-2-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637389
(4S)-4-[(3S)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96534782
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 125130244) is (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)o1.
What is the InChIKey of (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is VDFZLBHWDUNGJU-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10-4-5-13(24-10)12-3-2-6-21(12)15(23)11-7-14(22)20(8-11)9-16(17,18)19/h4-5,11-12H,2-3,6-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 344.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 125130244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).