3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one

C16H11NOS — CID 57340273

IUPAC3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one
SMILESCc1ccc(-c2csc3c2-n2cccc2C3=O)cc1
InChIInChI=1S/C16H11NOS/c1-10-4-6-11(7-5-10)12-9-19-16-14(12)17-8-2-3-13(17)15(16)18/h2-9H,1H3
InChIKeyCJQBBRDLRCIWOR-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.06
Rot. Bonds1

About 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one

3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one (PubChem CID 57340273) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one.

Molecular Properties

Compound Name3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one
PubChem CID57340273
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one
SMILESCc1ccc(-c2csc3c2-n2cccc2C3=O)cc1
InChIInChI=1S/C16H11NOS/c1-10-4-6-11(7-5-10)12-9-19-16-14(12)17-8-2-3-13(17)15(16)18/h2-9H,1H3
InChIKeyCJQBBRDLRCIWOR-UHFFFAOYSA-N
XLogP4.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one?
The IUPAC name of 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one (CID 57340273) is 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one.
What is the SMILES notation for 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one?
The canonical SMILES for 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one is Cc1ccc(-c2csc3c2-n2cccc2C3=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one?
The InChIKey is CJQBBRDLRCIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c1-10-4-6-11(7-5-10)12-9-19-16-14(12)17-8-2-3-13(17)15(16)18/h2-9H,1H3.
What are the key properties of 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one?
3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one has a molecular weight of 265.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)thieno[2,3-b]pyrrolizin-8-one is sourced from PubChem (CID 57340273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).