1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one

C13H19ClN2OS — CID 106039892

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(CCc2ccc(Cl)s2)C1=O
InChIInChI=1S/C13H19ClN2OS/c1-9(2)15-11-6-8-16(13(11)17)7-5-10-3-4-12(14)18-10/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyNUUCRDXSFDBRHL-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.54
Rot. Bonds5

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 106039892) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID106039892
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(CCc2ccc(Cl)s2)C1=O
InChIInChI=1S/C13H19ClN2OS/c1-9(2)15-11-6-8-16(13(11)17)7-5-10-3-4-12(14)18-10/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyNUUCRDXSFDBRHL-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
CID 106039908
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
CID 114139676
1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 79754766
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 114134726
1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine
CID 106033706
1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106421362
4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 114181804
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
CID 106039918
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106305745
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 114541352
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837824
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one (CID 106039892) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one is CC(C)NC1CCN(CCc2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is NUUCRDXSFDBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-9(2)15-11-6-8-16(13(11)17)7-5-10-3-4-12(14)18-10/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 286.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106039892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).