thieno[2,3-b]pyrrolizin-8-one

C9H5NOS — CID 13070727

IUPACthieno[2,3-b]pyrrolizin-8-one
SMILESO=C1c2sccc2-n2cccc21
InChIInChI=1S/C9H5NOS/c11-8-6-2-1-4-10(6)7-3-5-12-9(7)8/h1-5H
InChIKeyKMEIZAJBOLMJKI-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.08
Rot. Bonds

About thieno[2,3-b]pyrrolizin-8-one

thieno[2,3-b]pyrrolizin-8-one (PubChem CID 13070727) has the molecular formula C9H5NOS and a molecular weight of 175.21 g/mol. Its IUPAC name is thieno[2,3-b]pyrrolizin-8-one.

Molecular Properties

Compound Namethieno[2,3-b]pyrrolizin-8-one
PubChem CID13070727
Molecular FormulaC9H5NOS
Molecular Weight175.21 g/mol
Exact Mass175.01
IUPAC Namethieno[2,3-b]pyrrolizin-8-one
SMILESO=C1c2sccc2-n2cccc21
InChIInChI=1S/C9H5NOS/c11-8-6-2-1-4-10(6)7-3-5-12-9(7)8/h1-5H
InChIKeyKMEIZAJBOLMJKI-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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Related Compounds

3-(4-Chlorophenyl)-8H-thieno[2,3-b]pyrrolizin-8-one
CID 388525
3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile
CID 1491223
3-Phenylthieno[2,3-b]pyrrolizin-8-one
CID 388523
3-(4-Fluorophenyl)-8H-thieno[2,3-b]pyrrolizin-8-one
CID 388524
Thienopyrrolizine derivative, 4a
CID 57340273
Thienopyrrolizine derivative, 5
CID 57340279
3-Methyl-8H-thieno[2,3-b]pyrrolizin-8-one
CID 388522
8-Thiophen-2-ylpyrrolo[1,2-a]indol-4-one
CID 11736842
(1-Methyl-1H-pyrrol-2-yl)(thiophen-2-yl)methanone
CID 22481064
3-[2-(Thiophene-2-carbonyl)pyrrol-1-yl]propanenitrile
CID 46901297
2-(Thiophene-2-carbonyl)pyrrole
CID 19914029
2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one
CID 388526

Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]pyrrolizin-8-one?
The IUPAC name of thieno[2,3-b]pyrrolizin-8-one (CID 13070727) is thieno[2,3-b]pyrrolizin-8-one.
What is the SMILES notation for thieno[2,3-b]pyrrolizin-8-one?
The canonical SMILES for thieno[2,3-b]pyrrolizin-8-one is O=C1c2sccc2-n2cccc21.
What is the InChIKey of thieno[2,3-b]pyrrolizin-8-one?
The InChIKey is KMEIZAJBOLMJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NOS/c11-8-6-2-1-4-10(6)7-3-5-12-9(7)8/h1-5H.
What are the key properties of thieno[2,3-b]pyrrolizin-8-one?
thieno[2,3-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[2,3-b]pyrrolizin-8-one is sourced from PubChem (CID 13070727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).