8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H23N3O — CID 59165790

IUPAC8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)N1CCC2(CC1)N=C(c1ccccc1)NC2=O
InChIInChI=1S/C17H23N3O/c1-16(2,3)20-11-9-17(10-12-20)15(21)18-14(19-17)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,19,21)
InChIKeyYBIPPYHNACIAKB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.20
Rot. Bonds1

About 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 59165790) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID59165790
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(C)N1CCC2(CC1)N=C(c1ccccc1)NC2=O
InChIInChI=1S/C17H23N3O/c1-16(2,3)20-11-9-17(10-12-20)15(21)18-14(19-17)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,19,21)
InChIKeyYBIPPYHNACIAKB-UHFFFAOYSA-N
XLogP2.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 59165790) is 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(C)(C)N1CCC2(CC1)N=C(c1ccccc1)NC2=O.
What is the InChIKey of 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YBIPPYHNACIAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2,3)20-11-9-17(10-12-20)15(21)18-14(19-17)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,19,21).
What are the key properties of 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 59165790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).