9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione

C17H19F3N2O2 — CID 162549412

IUPAC9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione
SMILESCC1C2CC3=C(CC(C(F)(F)F)C=N3)CN2C(=O)C12CCC(=O)C2
InChIInChI=1S/C17H19F3N2O2/c1-9-14-5-13-10(4-11(7-21-13)17(18,19)20)8-22(14)15(24)16(9)3-2-12(23)6-16/h7,9,11,14H,2-6,8H2,1H3
InChIKeyGMYAASJKVSIUBF-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.88
Rot. Bonds

About 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione

9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione (PubChem CID 162549412) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione.

Molecular Properties

Compound Name9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione
PubChem CID162549412
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione
SMILESCC1C2CC3=C(CC(C(F)(F)F)C=N3)CN2C(=O)C12CCC(=O)C2
InChIInChI=1S/C17H19F3N2O2/c1-9-14-5-13-10(4-11(7-21-13)17(18,19)20)8-22(14)15(24)16(9)3-2-12(23)6-16/h7,9,11,14H,2-6,8H2,1H3
InChIKeyGMYAASJKVSIUBF-UHFFFAOYSA-N
XLogP2.88
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione?
The IUPAC name of 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione (CID 162549412) is 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione.
What is the SMILES notation for 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione?
The canonical SMILES for 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione is CC1C2CC3=C(CC(C(F)(F)F)C=N3)CN2C(=O)C12CCC(=O)C2.
What is the InChIKey of 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione?
The InChIKey is GMYAASJKVSIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-9-14-5-13-10(4-11(7-21-13)17(18,19)20)8-22(14)15(24)16(9)3-2-12(23)6-16/h7,9,11,14H,2-6,8H2,1H3.
What are the key properties of 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione?
9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione has a molecular weight of 340.35 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(trifluoromethyl)spiro[3,4,5,9,9a,10-hexahydropyrrolo[1,2-g][1,6]naphthyridine-8,3'-cyclopentane]-1',7-dione is sourced from PubChem (CID 162549412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).