1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one

C13H19ClN2OS — CID 102976460

IUPAC1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1csc(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-9(7-16-5-3-4-13(16)17)15-10(2)11-6-12(14)18-8-11/h6,8-10,15H,3-5,7H2,1-2H3
InChIKeyPFXSXHJWXCWENV-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one

1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 102976460) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID102976460
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1csc(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-9(7-16-5-3-4-13(16)17)15-10(2)11-6-12(14)18-8-11/h6,8-10,15H,3-5,7H2,1-2H3
InChIKeyPFXSXHJWXCWENV-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
CID 64992946
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
1-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 81329590
1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 82963383
1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
CID 54865845
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
CID 60931846

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one (CID 102976460) is 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC(C)c1csc(Cl)c1.
What is the InChIKey of 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is PFXSXHJWXCWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-9(7-16-5-3-4-13(16)17)15-10(2)11-6-12(14)18-8-11/h6,8-10,15H,3-5,7H2,1-2H3.
What are the key properties of 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 286.83 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 102976460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).