(4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H18F3N3O2 — CID 124504954

IUPAC(4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESC[C@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O2/c1-10-12-3-2-4-19(12)5-6-21(10)14(23)11-7-13(22)20(8-11)9-15(16,17)18/h2-4,10-11H,5-9H2,1H3/t10-,11+/m0/s1
InChIKeySUZDJERTFCREAG-WDEREUQCSA-N
MW329.32 g/mol
LogP1.80
Rot. Bonds2

About (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 124504954) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID124504954
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name(4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESC[C@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O2/c1-10-12-3-2-4-19(12)5-6-21(10)14(23)11-7-13(22)20(8-11)9-15(16,17)18/h2-4,10-11H,5-9H2,1H3/t10-,11+/m0/s1
InChIKeySUZDJERTFCREAG-WDEREUQCSA-N
XLogP1.80
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (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) is (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is C[C@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is SUZDJERTFCREAG-WDEREUQCSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-10-12-3-2-4-19(12)5-6-21(10)14(23)11-7-13(22)20(8-11)9-15(16,17)18/h2-4,10-11H,5-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 329.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 124504954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).