N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H20F3N3O — CID 63709848

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN2CCCC12)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)12(4-5-17-8-12)11(20)18-9-3-7-19-6-1-2-10(9)19/h9-10,17H,1-8H2,(H,18,20)
InChIKeyKGTWODVVYVSBPN-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.88
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709848) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709848
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN2CCCC12)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)12(4-5-17-8-12)11(20)18-9-3-7-19-6-1-2-10(9)19/h9-10,17H,1-8H2,(H,18,20)
InChIKeyKGTWODVVYVSBPN-UHFFFAOYSA-N
XLogP0.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709848) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1CCN2CCCC12)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KGTWODVVYVSBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c14-13(15,16)12(4-5-17-8-12)11(20)18-9-3-7-19-6-1-2-10(9)19/h9-10,17H,1-8H2,(H,18,20).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).