N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C13H20F3N3O2 — CID 102891785

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1NCC2CCCC21
InChIInChI=1S/C13H20F3N3O2/c1-19(6-10(20)18-7-13(14,15)16)12(21)11-9-4-2-3-8(9)5-17-11/h8-9,11,17H,2-7H2,1H3,(H,18,20)
InChIKeyDLMUCPVKOPUQPK-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.51
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891785) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891785
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1NCC2CCCC21
InChIInChI=1S/C13H20F3N3O2/c1-19(6-10(20)18-7-13(14,15)16)12(21)11-9-4-2-3-8(9)5-17-11/h8-9,11,17H,2-7H2,1H3,(H,18,20)
InChIKeyDLMUCPVKOPUQPK-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891785) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is DLMUCPVKOPUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-19(6-10(20)18-7-13(14,15)16)12(21)11-9-4-2-3-8(9)5-17-11/h8-9,11,17H,2-7H2,1H3,(H,18,20).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).