1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one

C17H20N2OS — CID 43106173

IUPAC1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
SMILESCCC(Nc1ccccc1N1CCCC1=O)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-2-13(16-9-6-12-21-16)18-14-7-3-4-8-15(14)19-11-5-10-17(19)20/h3-4,6-9,12-13,18H,2,5,10-11H2,1H3
InChIKeySMFYLAMLWJVOIX-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.44
Rot. Bonds5

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

1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one (PubChem CID 43106173) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
PubChem CID43106173
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
SMILESCCC(Nc1ccccc1N1CCCC1=O)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-2-13(16-9-6-12-21-16)18-14-7-3-4-8-15(14)19-11-5-10-17(19)20/h3-4,6-9,12-13,18H,2,5,10-11H2,1H3
InChIKeySMFYLAMLWJVOIX-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 43103289
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 104652182
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682000
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115928567
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
CID 76885109
1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 17399408

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one (CID 43106173) is 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one is CCC(Nc1ccccc1N1CCCC1=O)c1cccs1.
What is the InChIKey of 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one?
The InChIKey is SMFYLAMLWJVOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-13(16-9-6-12-21-16)18-14-7-3-4-8-15(14)19-11-5-10-17(19)20/h3-4,6-9,12-13,18H,2,5,10-11H2,1H3.
What are the key properties of 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one?
1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one has a molecular weight of 300.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43106173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).