2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O — CID 66210002

IUPAC2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1C2CNCC2CN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-7-9-3-15-2-8(9)4-17(7)5-10(18)16-6-11(12,13)14/h7-9,15H,2-6H2,1H3,(H,16,18)
InChIKeyDOAGRTBVMJVYAD-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.20
Rot. Bonds3

About 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66210002) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66210002
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1C2CNCC2CN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-7-9-3-15-2-8(9)4-17(7)5-10(18)16-6-11(12,13)14/h7-9,15H,2-6H2,1H3,(H,16,18)
InChIKeyDOAGRTBVMJVYAD-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 66210002) is 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC1C2CNCC2CN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DOAGRTBVMJVYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-7-9-3-15-2-8(9)4-17(7)5-10(18)16-6-11(12,13)14/h7-9,15H,2-6H2,1H3,(H,16,18).
What are the key properties of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.28 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66210002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).