1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one

C15H16N2OS — CID 43229073

IUPAC1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cccs2)cc1
InChIInChI=1S/C15H16N2OS/c18-15-4-1-9-17(15)13-7-5-12(6-8-13)16-11-14-3-2-10-19-14/h2-3,5-8,10,16H,1,4,9,11H2
InChIKeyRBDOVJWCSFKHBC-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.49
Rot. Bonds4

About 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one

1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one (PubChem CID 43229073) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
PubChem CID43229073
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cccs2)cc1
InChIInChI=1S/C15H16N2OS/c18-15-4-1-9-17(15)13-7-5-12(6-8-13)16-11-14-3-2-10-19-14/h2-3,5-8,10,16H,1,4,9,11H2
InChIKeyRBDOVJWCSFKHBC-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

4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-thiophen-2-ylpropanoate
CID 8601952
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257463
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4782385
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 30691790
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one (CID 43229073) is 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NCc2cccs2)cc1.
What is the InChIKey of 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is RBDOVJWCSFKHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15-4-1-9-17(15)13-7-5-12(6-8-13)16-11-14-3-2-10-19-14/h2-3,5-8,10,16H,1,4,9,11H2.
What are the key properties of 1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one?
1-[4-(thiophen-2-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-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43229073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).