1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one

C15H16N2OS — CID 28682000

IUPAC1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccsc1
InChIInChI=1S/C15H16N2OS/c18-15-6-3-8-17(15)14-5-2-1-4-13(14)16-10-12-7-9-19-11-12/h1-2,4-5,7,9,11,16H,3,6,8,10H2
InChIKeyZILZYXYZCLBVND-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.49
Rot. Bonds4

About 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one

1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one (PubChem CID 28682000) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
PubChem CID28682000
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccsc1
InChIInChI=1S/C15H16N2OS/c18-15-6-3-8-17(15)14-5-2-1-4-13(14)16-10-12-7-9-19-11-12/h1-2,4-5,7,9,11,16H,3,6,8,10H2
InChIKeyZILZYXYZCLBVND-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 41395637
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 17399408
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
1-[2-[(7-bromo-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 78827001
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
CID 43106173

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one (CID 28682000) is 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1NCc1ccsc1.
What is the InChIKey of 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is ZILZYXYZCLBVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15-6-3-8-17(15)14-5-2-1-4-13(14)16-10-12-7-9-19-11-12/h1-2,4-5,7,9,11,16H,3,6,8,10H2.
What are the key properties of 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one?
1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one has a molecular weight of 272.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28682000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).