N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide

C11H17F3N2O — CID 87117882

IUPACN-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCC1CC2[C@H](CN[C@@H]2CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-6-2-7-4-15-9(8(7)3-6)5-16-10(17)11(12,13)14/h6-9,15H,2-5H2,1H3,(H,16,17)/t6?,7-,8?,9+/m0/s1
InChIKeyUWLRBKXICPUXSF-GPCQJSLASA-N
MW250.26 g/mol
LogP1.30
Rot. Bonds2

About N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 87117882) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID87117882
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCC1CC2[C@H](CN[C@@H]2CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-6-2-7-4-15-9(8(7)3-6)5-16-10(17)11(12,13)14/h6-9,15H,2-5H2,1H3,(H,16,17)/t6?,7-,8?,9+/m0/s1
InChIKeyUWLRBKXICPUXSF-GPCQJSLASA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide (CID 87117882) is N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide is CC1CC2[C@H](CN[C@@H]2CNC(=O)C(F)(F)F)C1.
What is the InChIKey of N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is UWLRBKXICPUXSF-GPCQJSLASA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-6-2-7-4-15-9(8(7)3-6)5-16-10(17)11(12,13)14/h6-9,15H,2-5H2,1H3,(H,16,17)/t6?,7-,8?,9+/m0/s1.
What are the key properties of N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 250.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87117882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).