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

C7H10N2O2 — CID 10654438

IUPAC6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1NC(=O)N2CCCCC12
InChIInChI=1S/C7H10N2O2/c10-6-5-3-1-2-4-9(5)7(11)8-6/h5H,1-4H2,(H,8,10,11)
InChIKeyQBCSJOKGNDNJKE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.09
Rot. Bonds

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

6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 10654438) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID10654438
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1NC(=O)N2CCCCC12
InChIInChI=1S/C7H10N2O2/c10-6-5-3-1-2-4-9(5)7(11)8-6/h5H,1-4H2,(H,8,10,11)
InChIKeyQBCSJOKGNDNJKE-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 10654438) is 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1NC(=O)N2CCCCC12.
What is the InChIKey of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is QBCSJOKGNDNJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-6-5-3-1-2-4-9(5)7(11)8-6/h5H,1-4H2,(H,8,10,11).
What are the key properties of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 154.17 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 10654438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).