(5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one

C15H16O2 — CID 101420347

IUPAC(5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one
SMILESC[C@H]1CCC[C@]12OC(c1ccccc1)=CC2=O
InChIInChI=1S/C15H16O2/c1-11-6-5-9-15(11)14(16)10-13(17-15)12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3/t11-,15-/m0/s1
InChIKeyXNIPUTOEDDNFDH-NHYWBVRUSA-N
MW228.29 g/mol
LogP3.19
Rot. Bonds1

About (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one

(5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one (PubChem CID 101420347) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name(5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one
PubChem CID101420347
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one
SMILESC[C@H]1CCC[C@]12OC(c1ccccc1)=CC2=O
InChIInChI=1S/C15H16O2/c1-11-6-5-9-15(11)14(16)10-13(17-15)12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3/t11-,15-/m0/s1
InChIKeyXNIPUTOEDDNFDH-NHYWBVRUSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bullatenone
CID 100464
4,5-Dihydro-5-methyl-4-oxo-5-phenylfuran-2-carboxylic Acid Methyl Ester
CID 12840342
7a-methyl-2,4,5-triphenyl-7a-hydro-7aH-cyclopenta[2,1-b]pyran-7-one
CID 2825367
4-Fluoro-2,2-dimethyl-5-phenylfuran-3-one
CID 11052783
4-[3-(3-Fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl] benzene
CID 172432454
Ethanone, 1-(4,5-dihydro-2-methyl-5,5-diphenyl-3-furanyl)-
CID 11403189
4-Methyl-5-phenylfuran-2,3-dione
CID 11788719
1-(2,5-dimethyl-5-phenyl-4H-furan-3-yl)-ethanone
CID 10965935
5-[(2-Methylpropan-2-yl)oxy]-8,9-dihydrobenzo[7]annulen-7-one
CID 101455127
5-(4-Iodophenyl)-2,2-dimethylfuran-3-one
CID 70252624
2,2-Dimethyl-4,5-diphenyl-2,3-dihydrofuran-3-one
CID 102421896
3-Fluoro-2-phenyl-1-oxaspiro[4.5]dec-2-en-4-one
CID 21631717

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one?
The IUPAC name of (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one (CID 101420347) is (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one.
What is the SMILES notation for (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one?
The canonical SMILES for (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one is C[C@H]1CCC[C@]12OC(c1ccccc1)=CC2=O.
What is the InChIKey of (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one?
The InChIKey is XNIPUTOEDDNFDH-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-6-5-9-15(11)14(16)10-13(17-15)12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3/t11-,15-/m0/s1.
What are the key properties of (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one?
(5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one has a molecular weight of 228.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-methyl-2-phenyl-1-oxaspiro[4.4]non-2-en-4-one is sourced from PubChem (CID 101420347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).