2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one

C7H10N2O — CID 58724369

IUPAC2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESO=C1NCC2C=CCCN12
InChIInChI=1S/C7H10N2O/c10-7-8-5-6-3-1-2-4-9(6)7/h1,3,6H,2,4-5H2,(H,8,10)
InChIKeyPNNHZSUVYJLGST-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.34
Rot. Bonds

About 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one

2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one (PubChem CID 58724369) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
PubChem CID58724369
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESO=C1NCC2C=CCCN12
InChIInChI=1S/C7H10N2O/c10-7-8-5-6-3-1-2-4-9(6)7/h1,3,6H,2,4-5H2,(H,8,10)
InChIKeyPNNHZSUVYJLGST-UHFFFAOYSA-N
XLogP0.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one (CID 58724369) is 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one is O=C1NCC2C=CCCN12.
What is the InChIKey of 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The InChIKey is PNNHZSUVYJLGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-8-5-6-3-1-2-4-9(6)7/h1,3,6H,2,4-5H2,(H,8,10).
What are the key properties of 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 58724369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).