2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione

C9H14N2O2 — CID 18685149

IUPAC2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILESCN1C(=O)N2CCCCC2(C)C1=O
InChIInChI=1S/C9H14N2O2/c1-9-5-3-4-6-11(9)8(13)10(2)7(9)12/h3-6H2,1-2H3
InChIKeyWHQVQFGQUUBCSE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds

About 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione

2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione (PubChem CID 18685149) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
PubChem CID18685149
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
SMILESCN1C(=O)N2CCCCC2(C)C1=O
InChIInChI=1S/C9H14N2O2/c1-9-5-3-4-6-11(9)8(13)10(2)7(9)12/h3-6H2,1-2H3
InChIKeyWHQVQFGQUUBCSE-UHFFFAOYSA-N
XLogP0.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8aS)-2-(2-piperidin-1-ylethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 44403182
(8aR)-2-(3,3-dimethylbutan-2-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 102561157
8,8-Dimethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8a-tetrahydroimidazo[1,5-a]pyridine-1,3-dione
CID 105577335
8-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 113913156
7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 114426089
7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 114430604
2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 115579307
(8aS)-7-(cyclopentanecarbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 26763578
8-(Cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377650
2-octyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9813968
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

Frequently Asked Questions

What is the IUPAC name of 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione (CID 18685149) is 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is CN1C(=O)N2CCCCC2(C)C1=O.
What is the InChIKey of 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is WHQVQFGQUUBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9-5-3-4-6-11(9)8(13)10(2)7(9)12/h3-6H2,1-2H3.
What are the key properties of 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione?
2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 182.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8a-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18685149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).