thieno[3,4-b]pyrrolizin-8-one

C9H5NOS — CID 57340279

IUPACthieno[3,4-b]pyrrolizin-8-one
SMILESO=C1c2cscc2-n2cccc21
InChIInChI=1S/C9H5NOS/c11-9-6-4-12-5-8(6)10-3-1-2-7(9)10/h1-5H
InChIKeyFAFFNPCTARTILR-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.08
Rot. Bonds

About thieno[3,4-b]pyrrolizin-8-one

thieno[3,4-b]pyrrolizin-8-one (PubChem CID 57340279) has the molecular formula C9H5NOS and a molecular weight of 175.21 g/mol. Its IUPAC name is thieno[3,4-b]pyrrolizin-8-one.

Molecular Properties

Compound Namethieno[3,4-b]pyrrolizin-8-one
PubChem CID57340279
Molecular FormulaC9H5NOS
Molecular Weight175.21 g/mol
Exact Mass175.01
IUPAC Namethieno[3,4-b]pyrrolizin-8-one
SMILESO=C1c2cscc2-n2cccc21
InChIInChI=1S/C9H5NOS/c11-9-6-4-12-5-8(6)10-3-1-2-7(9)10/h1-5H
InChIKeyFAFFNPCTARTILR-UHFFFAOYSA-N
XLogP2.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[3,4-b]pyrrolizin-8-one?
The IUPAC name of thieno[3,4-b]pyrrolizin-8-one (CID 57340279) is thieno[3,4-b]pyrrolizin-8-one.
What is the SMILES notation for thieno[3,4-b]pyrrolizin-8-one?
The canonical SMILES for thieno[3,4-b]pyrrolizin-8-one is O=C1c2cscc2-n2cccc21.
What is the InChIKey of thieno[3,4-b]pyrrolizin-8-one?
The InChIKey is FAFFNPCTARTILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NOS/c11-9-6-4-12-5-8(6)10-3-1-2-7(9)10/h1-5H.
What are the key properties of thieno[3,4-b]pyrrolizin-8-one?
thieno[3,4-b]pyrrolizin-8-one has a molecular weight of 175.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,4-b]pyrrolizin-8-one is sourced from PubChem (CID 57340279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).