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

C10H16F3N3O — CID 113463023

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCC1CC2CNCC2N1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-6-2-7-3-14-4-8(7)16(6)9(17)15-5-10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,17)
InChIKeyAIJNNPXUNXJXFD-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.94
Rot. Bonds1

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

2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (PubChem CID 113463023) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
PubChem CID113463023
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCC1CC2CNCC2N1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-6-2-7-3-14-4-8(7)16(6)9(17)15-5-10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,17)
InChIKeyAIJNNPXUNXJXFD-UHFFFAOYSA-N
XLogP0.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (CID 113463023) is 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is CC1CC2CNCC2N1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The InChIKey is AIJNNPXUNXJXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-6-2-7-3-14-4-8(7)16(6)9(17)15-5-10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,17).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is sourced from PubChem (CID 113463023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).