N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C11H17F3N2O — CID 102893063

IUPACN-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCC(F)(F)F)C1NCC2CCCC21
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)4-5-15-10(17)9-8-3-1-2-7(8)6-16-9/h7-9,16H,1-6H2,(H,15,17)
InChIKeyVFZSDYJNASCCGG-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.44
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893063) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893063
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCC(F)(F)F)C1NCC2CCCC21
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)4-5-15-10(17)9-8-3-1-2-7(8)6-16-9/h7-9,16H,1-6H2,(H,15,17)
InChIKeyVFZSDYJNASCCGG-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893063) is N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(NCCC(F)(F)F)C1NCC2CCCC21.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is VFZSDYJNASCCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)4-5-15-10(17)9-8-3-1-2-7(8)6-16-9/h7-9,16H,1-6H2,(H,15,17).
What are the key properties of N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).