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

C11H15F3N2O2 — CID 114430604

IUPAC7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCCC1CCN2C(=O)N(CC(F)(F)F)C(=O)C2C1
InChIInChI=1S/C11H15F3N2O2/c1-2-7-3-4-15-8(5-7)9(17)16(10(15)18)6-11(12,13)14/h7-8H,2-6H2,1H3
InChIKeyHMCUYYWXIFLJDK-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.00
Rot. Bonds2

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

7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 114430604) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID114430604
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCCC1CCN2C(=O)N(CC(F)(F)F)C(=O)C2C1
InChIInChI=1S/C11H15F3N2O2/c1-2-7-3-4-15-8(5-7)9(17)16(10(15)18)6-11(12,13)14/h7-8H,2-6H2,1H3
InChIKeyHMCUYYWXIFLJDK-UHFFFAOYSA-N
XLogP2.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.00
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

2-(3,5-dichlorophenyl)-7-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 107653887
2-(4-aminophenyl)-7-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 114430618
7-methyl-1-methylidene-2-(2,2,2-trifluoroethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-3-one
CID 59872717
(6R,7aR)-6-methoxy-2-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124728860
(6R,7aS)-6-methoxy-2-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124728858
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4,6-trione
CID 59648904
1-cyclopropyl-4-ethylpiperidin-2-one
CID 153405056
(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95619611
(7aS)-2-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124918139
2-[3-[4-(trifluoromethyl)phenyl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 71851916
3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane-2,5-dione
CID 64881850
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 163356309

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 114430604) is 7-ethyl-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-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is CCC1CCN2C(=O)N(CC(F)(F)F)C(=O)C2C1.
What is the InChIKey of 7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is HMCUYYWXIFLJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-2-7-3-4-15-8(5-7)9(17)16(10(15)18)6-11(12,13)14/h7-8H,2-6H2,1H3.
What are the key properties of 7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 264.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 114430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).