1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C22H19F3N2O3 — CID 66662141

IUPAC1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnc(C(F)(F)F)cc34)CC2)cc1
InChIInChI=1S/C22H19F3N2O3/c1-13-2-4-14(5-3-13)20(6-7-20)19(29)27-9-8-21(12-27)16-10-17(22(23,24)25)26-11-15(16)18(28)30-21/h2-5,10-11H,6-9,12H2,1H3
InChIKeyDRFJUNPRIFPIMR-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.74
Rot. Bonds2

About 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66662141) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66662141
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnc(C(F)(F)F)cc34)CC2)cc1
InChIInChI=1S/C22H19F3N2O3/c1-13-2-4-14(5-3-13)20(6-7-20)19(29)27-9-8-21(12-27)16-10-17(22(23,24)25)26-11-15(16)18(28)30-21/h2-5,10-11H,6-9,12H2,1H3
InChIKeyDRFJUNPRIFPIMR-UHFFFAOYSA-N
XLogP3.74
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66662141) is 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is Cc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnc(C(F)(F)F)cc34)CC2)cc1.
What is the InChIKey of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is DRFJUNPRIFPIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-13-2-4-14(5-3-13)20(6-7-20)19(29)27-9-8-21(12-27)16-10-17(22(23,24)25)26-11-15(16)18(28)30-21/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 416.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4-methylphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66662141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).