tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate

C16H17F3N2O4 — CID 66662283

IUPACtert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C1)OC(=O)c1cnc(C(F)(F)F)cc12
InChIInChI=1S/C16H17F3N2O4/c1-14(2,3)25-13(23)21-5-4-15(8-21)10-6-11(16(17,18)19)20-7-9(10)12(22)24-15/h6-7H,4-5,8H2,1-3H3
InChIKeyAWTODVVPULGNAX-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.11
Rot. Bonds

About tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate

tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate (PubChem CID 66662283) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate
PubChem CID66662283
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC Nametert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C1)OC(=O)c1cnc(C(F)(F)F)cc12
InChIInChI=1S/C16H17F3N2O4/c1-14(2,3)25-13(23)21-5-4-15(8-21)10-6-11(16(17,18)19)20-7-9(10)12(22)24-15/h6-7H,4-5,8H2,1-3H3
InChIKeyAWTODVVPULGNAX-UHFFFAOYSA-N
XLogP3.11
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,4-Trimethylfuro[3,4-c]pyridin-3-one
CID 76325674
6-(Trifluoromethyl)furo[3,4-c]pyridin-3(1H)-one
CID 58687969
1'-[1-[4-(Trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661537
(1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661708
1'-[1-[6-(4-Fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661712
(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661713
1'-[1-(4-Methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661739
(1R)-1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661744
1'-[1-[2-(Trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661755
1'-[1-(2,4-Difluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661797
1'-[1-[2-Fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661879
(1R)-1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661880

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate (CID 66662283) is tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C1)OC(=O)c1cnc(C(F)(F)F)cc12.
What is the InChIKey of tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is AWTODVVPULGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c1-14(2,3)25-13(23)21-5-4-15(8-21)10-6-11(16(17,18)19)20-7-9(10)12(22)24-15/h6-7H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate?
tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 358.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 66662283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).