2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O3 — CID 78827439

IUPAC2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2CCCN2C1=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-14-7(17)4-16-8(18)6-2-1-3-15(6)9(16)19/h6H,1-5H2,(H,14,17)
InChIKeyLYPBFSLPPCLYPD-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.09
Rot. Bonds3

About 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78827439) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78827439
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2CCCN2C1=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-14-7(17)4-16-8(18)6-2-1-3-15(6)9(16)19/h6H,1-5H2,(H,14,17)
InChIKeyLYPBFSLPPCLYPD-UHFFFAOYSA-N
XLogP0.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78827439) is 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)C2CCCN2C1=O)NCC(F)(F)F.
What is the InChIKey of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LYPBFSLPPCLYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)5-14-7(17)4-16-8(18)6-2-1-3-15(6)9(16)19/h6H,1-5H2,(H,14,17).
What are the key properties of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78827439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).