(4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one

C13H12N2OS — CID 15309314

IUPAC(4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1C[C@H](c2cccs2)[C@@H](c2cccnc2)N1
InChIInChI=1S/C13H12N2OS/c16-12-7-10(11-4-2-6-17-11)13(15-12)9-3-1-5-14-8-9/h1-6,8,10,13H,7H2,(H,15,16)/t10-,13-/m1/s1
InChIKeyJQZKAVOQHOUIFZ-ZWNOBZJWSA-N
MW244.32 g/mol
LogP2.49
Rot. Bonds2

About (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one

(4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one (PubChem CID 15309314) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one
PubChem CID15309314
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1C[C@H](c2cccs2)[C@@H](c2cccnc2)N1
InChIInChI=1S/C13H12N2OS/c16-12-7-10(11-4-2-6-17-11)13(15-12)9-3-1-5-14-8-9/h1-6,8,10,13H,7H2,(H,15,16)/t10-,13-/m1/s1
InChIKeyJQZKAVOQHOUIFZ-ZWNOBZJWSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-pyridin-3-yldiazinan-3-one
CID 20559353
(2S,3S)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 82394638
5-benzyl-4-thiophen-2-ylpyrrolidin-2-one
CID 66104822
3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
CID 79321168
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 139404509
3-pyrrolidin-3-ylpyridine
CID 3613651
4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
CID 66118016
3-pyridin-3-ylcyclopentan-1-one
CID 59265971
4-amino-6-thiophen-2-ylpiperidin-2-one
CID 83818747
3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione
CID 79429891
(3S,9R)-6,7-dimethoxy-9-pyridin-3-yl-3-thiophen-2-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27881425

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one (CID 15309314) is (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one is O=C1C[C@H](c2cccs2)[C@@H](c2cccnc2)N1.
What is the InChIKey of (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is JQZKAVOQHOUIFZ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-12-7-10(11-4-2-6-17-11)13(15-12)9-3-1-5-14-8-9/h1-6,8,10,13H,7H2,(H,15,16)/t10-,13-/m1/s1.
What are the key properties of (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one?
(4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 244.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-pyridin-3-yl-4-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 15309314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).