8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one

C26H24F3N3O — CID 15512239

IUPAC8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2
InChIInChI=1S/C26H24F3N3O/c27-26(28,29)19-7-3-8-20(15-19)32-16-30-24(33)25(32)10-12-31(13-11-25)22-14-18-6-1-4-17-5-2-9-21(22)23(17)18/h1-9,15,22H,10-14,16H2,(H,30,33)
InChIKeyFHBXEVMVIDIWNV-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.88
Rot. Bonds2

About 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one

8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 15512239) has the molecular formula C26H24F3N3O and a molecular weight of 451.49 g/mol. Its IUPAC name is 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID15512239
Molecular FormulaC26H24F3N3O
Molecular Weight451.49 g/mol
Exact Mass451.19
IUPAC Name8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2
InChIInChI=1S/C26H24F3N3O/c27-26(28,29)19-7-3-8-20(15-19)32-16-30-24(33)25(32)10-12-31(13-11-25)22-14-18-6-1-4-17-5-2-9-21(22)23(17)18/h1-9,15,22H,10-14,16H2,(H,30,33)
InChIKeyFHBXEVMVIDIWNV-UHFFFAOYSA-N
XLogP4.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 15512239) is 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2.
What is the InChIKey of 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is FHBXEVMVIDIWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O/c27-26(28,29)19-7-3-8-20(15-19)32-16-30-24(33)25(32)10-12-31(13-11-25)22-14-18-6-1-4-17-5-2-9-21(22)23(17)18/h1-9,15,22H,10-14,16H2,(H,30,33).
What are the key properties of 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one?
8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 451.49 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-dihydroacenaphthylen-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 15512239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).