6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one

C9H11NOS — CID 157477881

IUPAC6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one
SMILESCC(C)N1C(=O)Cc2ccsc21
InChIInChI=1S/C9H11NOS/c1-6(2)10-8(11)5-7-3-4-12-9(7)10/h3-4,6H,5H2,1-2H3
InChIKeyWYPMPLLLEJXRTF-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.05
Rot. Bonds1

About 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one

6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one (PubChem CID 157477881) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one.

Molecular Properties

Compound Name6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one
PubChem CID157477881
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one
SMILESCC(C)N1C(=O)Cc2ccsc21
InChIInChI=1S/C9H11NOS/c1-6(2)10-8(11)5-7-3-4-12-9(7)10/h3-4,6H,5H2,1-2H3
InChIKeyWYPMPLLLEJXRTF-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one?
The IUPAC name of 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one (CID 157477881) is 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one.
What is the SMILES notation for 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one?
The canonical SMILES for 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one is CC(C)N1C(=O)Cc2ccsc21.
What is the InChIKey of 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one?
The InChIKey is WYPMPLLLEJXRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-6(2)10-8(11)5-7-3-4-12-9(7)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one?
6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one has a molecular weight of 181.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one is sourced from PubChem (CID 157477881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).