3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one

C8H6ClNOS — CID 11117050

IUPAC3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccc(Cl)s2)CN1
InChIInChI=1S/C8H6ClNOS/c9-7-2-1-6(12-7)5-3-8(11)10-4-5/h1-3H,4H2,(H,10,11)
InChIKeyJWVXPSQITPCUSJ-UHFFFAOYSA-N
MW199.66 g/mol
LogP1.91
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one

3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one (PubChem CID 11117050) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one
PubChem CID11117050
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccc(Cl)s2)CN1
InChIInChI=1S/C8H6ClNOS/c9-7-2-1-6(12-7)5-3-8(11)10-4-5/h1-3H,4H2,(H,10,11)
InChIKeyJWVXPSQITPCUSJ-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(5-chlorothiophen-2-yl)-1,3-dihydroimidazol-2-one
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CID 82478768
5-(5-chlorothiophen-2-yl)-2-methyl-4H-pyrazol-3-one
CID 114763780
3-hydroxy-4-(5-oxo-1,2-dihydropyrrol-3-yl)-1,2-dihydropyrrol-5-one;oxamide
CID 70415864
2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975405
(1S,5S)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexan-2-one
CID 130951441
(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
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3-(5-chlorothiophen-2-yl)-4-pyridin-3-yl-2H-furan-5-one
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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one (CID 11117050) is 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one is O=C1C=C(c2ccc(Cl)s2)CN1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is JWVXPSQITPCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c9-7-2-1-6(12-7)5-3-8(11)10-4-5/h1-3H,4H2,(H,10,11).
What are the key properties of 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one?
3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 199.66 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 11117050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).