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

C8H8ClNOS — CID 54248342

IUPAC1-(5-chlorothiophen-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNOS/c9-6-3-4-8(12-6)10-5-1-2-7(10)11/h3-4H,1-2,5H2
InChIKeyQUXSZQQZZAZJSV-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.53
Rot. Bonds1

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

1-(5-chlorothiophen-2-yl)pyrrolidin-2-one (PubChem CID 54248342) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)pyrrolidin-2-one
PubChem CID54248342
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name1-(5-chlorothiophen-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNOS/c9-6-3-4-8(12-6)10-5-1-2-7(10)11/h3-4H,1-2,5H2
InChIKeyQUXSZQQZZAZJSV-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.53
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)pyrrolidin-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)pyrrolidin-2-one (CID 54248342) is 1-(5-chlorothiophen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)pyrrolidin-2-one is O=C1CCCN1c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)pyrrolidin-2-one?
The InChIKey is QUXSZQQZZAZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-6-3-4-8(12-6)10-5-1-2-7(10)11/h3-4H,1-2,5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)pyrrolidin-2-one?
1-(5-chlorothiophen-2-yl)pyrrolidin-2-one has a molecular weight of 201.68 g/mol, XLogP of 2.53, 1 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)pyrrolidin-2-one is sourced from PubChem (CID 54248342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).