(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one

C15H21N5O3 — CID 100615889

IUPAC(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)c1cncc(O[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1
InChIInChI=1S/C15H21N5O3/c1-19(2)12-7-16-8-14(18-12)23-10-5-6-20(9-10)15(22)11-3-4-13(21)17-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,21)/t10-,11-/m0/s1
InChIKeyFHIHGEKFYDPQOC-QWRGUYRKSA-N
MW319.37 g/mol
LogP-0.20
Rot. Bonds4

About (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 100615889) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID100615889
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)c1cncc(O[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1
InChIInChI=1S/C15H21N5O3/c1-19(2)12-7-16-8-14(18-12)23-10-5-6-20(9-10)15(22)11-3-4-13(21)17-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,21)/t10-,11-/m0/s1
InChIKeyFHIHGEKFYDPQOC-QWRGUYRKSA-N
XLogP-0.20
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 100615889) is (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one is CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1.
What is the InChIKey of (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FHIHGEKFYDPQOC-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-19(2)12-7-16-8-14(18-12)23-10-5-6-20(9-10)15(22)11-3-4-13(21)17-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,21)/t10-,11-/m0/s1.
What are the key properties of (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 319.37 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 100615889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).