2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C11H12N2O2S — CID 16660099

IUPAC2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1c1cccs1
InChIInChI=1S/C11H12N2O2S/c14-10-8-4-1-2-6-12(8)11(15)13(10)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2
InChIKeyPLHSTMKSKGGGRM-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.07
Rot. Bonds1

About 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 16660099) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID16660099
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1c1cccs1
InChIInChI=1S/C11H12N2O2S/c14-10-8-4-1-2-6-12(8)11(15)13(10)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2
InChIKeyPLHSTMKSKGGGRM-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 16660099) is 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CCCCN2C(=O)N1c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is PLHSTMKSKGGGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-10-8-4-1-2-6-12(8)11(15)13(10)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2.
What are the key properties of 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 236.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 16660099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).