7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C10H13F3N2O2 — CID 114426089

IUPAC7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCC1CCN2C(=O)N(CC(F)(F)F)C(=O)C2C1
InChIInChI=1S/C10H13F3N2O2/c1-6-2-3-14-7(4-6)8(16)15(9(14)17)5-10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyYXGTZRAWFPLEJP-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.61
Rot. Bonds1

About 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 114426089) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID114426089
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCC1CCN2C(=O)N(CC(F)(F)F)C(=O)C2C1
InChIInChI=1S/C10H13F3N2O2/c1-6-2-3-14-7(4-6)8(16)15(9(14)17)5-10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyYXGTZRAWFPLEJP-UHFFFAOYSA-N
XLogP1.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.61
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

(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-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
2-(2,2,2-trifluoroethyl)-4,5,5a,6,7,8,9,9a-octahydro-3aH-imidazo[1,5-a]quinoline-1,3-dione
CID 116013164
3-(2,2-Difluoroethyl)-5-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 168023446
5-(Piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione hydrochloride
CID 168023447
5-(Piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 168023448
5-(Cyclohexylmethyl)-3-methyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 177981539
(8aS)-7-(cyclopentanecarbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 26763578
2-hexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9856142

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 114426089) is 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is CC1CCN2C(=O)N(CC(F)(F)F)C(=O)C2C1.
What is the InChIKey of 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is YXGTZRAWFPLEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-6-2-3-14-7(4-6)8(16)15(9(14)17)5-10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 250.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 114426089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).