3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C11H14N2OS — CID 60525622

IUPAC3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2ccsc2)N2CCCCC12
InChIInChI=1S/C11H14N2OS/c14-11-9-3-1-2-5-13(9)10(12-11)8-4-6-15-7-8/h4,6-7,9-10H,1-3,5H2,(H,12,14)
InChIKeyWAENQLOOEBXYDO-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.73
Rot. Bonds1

About 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 60525622) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID60525622
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2ccsc2)N2CCCCC12
InChIInChI=1S/C11H14N2OS/c14-11-9-3-1-2-5-13(9)10(12-11)8-4-6-15-7-8/h4,6-7,9-10H,1-3,5H2,(H,12,14)
InChIKeyWAENQLOOEBXYDO-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 60525622) is 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is O=C1NC(c2ccsc2)N2CCCCC12.
What is the InChIKey of 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is WAENQLOOEBXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11-9-3-1-2-5-13(9)10(12-11)8-4-6-15-7-8/h4,6-7,9-10H,1-3,5H2,(H,12,14).
What are the key properties of 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 222.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 60525622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).