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

C13H17ClN2OS — CID 106039908

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2OS/c14-12-4-3-10(18-12)5-7-16-8-6-11(13(16)17)15-9-1-2-9/h3-4,9,11,15H,1-2,5-8H2
InChIKeyKUTYTIFFYBLGTE-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.30
Rot. Bonds5

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

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one (PubChem CID 106039908) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
PubChem CID106039908
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2OS/c14-12-4-3-10(18-12)5-7-16-8-6-11(13(16)17)15-9-1-2-9/h3-4,9,11,15H,1-2,5-8H2
InChIKeyKUTYTIFFYBLGTE-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106039892
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
CID 114139676
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837824
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
CID 113413278
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 82874672
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 106039785
N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106338480
3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
CID 106137685
3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 106044348
1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine
CID 106033706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one (CID 106039908) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one is O=C1C(NC2CC2)CCN1CCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one?
The InChIKey is KUTYTIFFYBLGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-12-4-3-10(18-12)5-7-16-8-6-11(13(16)17)15-9-1-2-9/h3-4,9,11,15H,1-2,5-8H2.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one has a molecular weight of 284.81 g/mol, XLogP of 2.30, 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-(cyclopropylamino)pyrrolidin-2-one is sourced from PubChem (CID 106039908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).