3-thiophen-3-yl-1,2-dihydropyrrol-5-one

C8H7NOS — CID 10964867

IUPAC3-thiophen-3-yl-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccsc2)CN1
InChIInChI=1S/C8H7NOS/c10-8-3-7(4-9-8)6-1-2-11-5-6/h1-3,5H,4H2,(H,9,10)
InChIKeyHNJWLWXMNXPVJB-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.26
Rot. Bonds1

About 3-thiophen-3-yl-1,2-dihydropyrrol-5-one

3-thiophen-3-yl-1,2-dihydropyrrol-5-one (PubChem CID 10964867) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 3-thiophen-3-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-thiophen-3-yl-1,2-dihydropyrrol-5-one
PubChem CID10964867
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name3-thiophen-3-yl-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccsc2)CN1
InChIInChI=1S/C8H7NOS/c10-8-3-7(4-9-8)6-1-2-11-5-6/h1-3,5H,4H2,(H,9,10)
InChIKeyHNJWLWXMNXPVJB-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-thiophen-3-yl-1,2-dihydropyrrol-5-one (CID 10964867) is 3-thiophen-3-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-thiophen-3-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-thiophen-3-yl-1,2-dihydropyrrol-5-one is O=C1C=C(c2ccsc2)CN1.
What is the InChIKey of 3-thiophen-3-yl-1,2-dihydropyrrol-5-one?
The InChIKey is HNJWLWXMNXPVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-8-3-7(4-9-8)6-1-2-11-5-6/h1-3,5H,4H2,(H,9,10).
What are the key properties of 3-thiophen-3-yl-1,2-dihydropyrrol-5-one?
3-thiophen-3-yl-1,2-dihydropyrrol-5-one has a molecular weight of 165.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 10964867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).