1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one

C10H12ClNOS — CID 67953783

IUPAC1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one
SMILESCCC1CCC(=O)N1c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS/c1-2-7-3-5-9(13)12(7)10-6-4-8(11)14-10/h4,6-7H,2-3,5H2,1H3
InChIKeyVUWKGWUKBPJNRE-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.31
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one

1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one (PubChem CID 67953783) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one
PubChem CID67953783
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one
SMILESCCC1CCC(=O)N1c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS/c1-2-7-3-5-9(13)12(7)10-6-4-8(11)14-10/h4,6-7H,2-3,5H2,1H3
InChIKeyVUWKGWUKBPJNRE-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one (CID 67953783) is 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one is CCC1CCC(=O)N1c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one?
The InChIKey is VUWKGWUKBPJNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-2-7-3-5-9(13)12(7)10-6-4-8(11)14-10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one?
1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one has a molecular weight of 229.73 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 67953783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).