6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione

C7H8N2O3 — CID 154489447

IUPAC6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione
SMILESO=C1NC(=O)N2C(=O)CCCC12
InChIInChI=1S/C7H8N2O3/c10-5-3-1-2-4-6(11)8-7(12)9(4)5/h4H,1-3H2,(H,8,11,12)
InChIKeyQQDAQYPICPWNKI-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.38
Rot. Bonds

About 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione

6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione (PubChem CID 154489447) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione.

Molecular Properties

Compound Name6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione
PubChem CID154489447
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione
SMILESO=C1NC(=O)N2C(=O)CCCC12
InChIInChI=1S/C7H8N2O3/c10-5-3-1-2-4-6(11)8-7(12)9(4)5/h4H,1-3H2,(H,8,11,12)
InChIKeyQQDAQYPICPWNKI-UHFFFAOYSA-N
XLogP-0.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Octahydroimidazolidino(1,5-a)pyridine-1,3-dione
CID 10654438
1,3,6,7,8,8a-Hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 9989443
(8aS)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 56640963
Cyclo(lysyl-prolyl)
CID 194922
Tetrahydropyrrolo(1,2-c)pyrimidine-1,3-dione
CID 61371349
Piperidinespirohydantoin
CID 20487806
6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 168985920
(4aR,6S)-6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 177078544
1,8-Diazabicyclo[4.3.0]nonan-7-one
CID 55288407
2-hexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9856142
2-cyclohexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9899494
2-heptyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9921290

Frequently Asked Questions

What is the IUPAC name of 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione?
The IUPAC name of 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione (CID 154489447) is 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione.
What is the SMILES notation for 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione?
The canonical SMILES for 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione is O=C1NC(=O)N2C(=O)CCCC12.
What is the InChIKey of 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione?
The InChIKey is QQDAQYPICPWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-5-3-1-2-4-6(11)8-7(12)9(4)5/h4H,1-3H2,(H,8,11,12).
What are the key properties of 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione?
6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione has a molecular weight of 168.15 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8a-tetrahydroimidazo[1,5-a]pyridine-1,3,5-trione is sourced from PubChem (CID 154489447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).