spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one

C19H19NO — CID 24846104

IUPACspiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
SMILESO=C1CCC2(CN1)c1ccccc1CCc1ccccc12
InChIInChI=1S/C19H19NO/c21-18-11-12-19(13-20-18)16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)19/h1-8H,9-13H2,(H,20,21)
InChIKeyAVZACRJBWWZTTM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.98
Rot. Bonds

About spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one

spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one (PubChem CID 24846104) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one.

Molecular Properties

Compound Namespiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
PubChem CID24846104
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Namespiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
SMILESO=C1CCC2(CN1)c1ccccc1CCc1ccccc12
InChIInChI=1S/C19H19NO/c21-18-11-12-19(13-20-18)16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)19/h1-8H,9-13H2,(H,20,21)
InChIKeyAVZACRJBWWZTTM-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
CID 129374458
spiro[1,2-dihydroindene-3,7'-5,6-dihydrocyclopenta[b]pyridine]
CID 59325833
3,3'-spirobi[1,2-dihydroindene]-4-ol
CID 162403250
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
CID 71263398
spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 123687681
17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-triene-12,16-dione
CID 603630
5-benzyl-5-methylpiperidin-2-one
CID 102737184
6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135045307
ethane;spiro[1,2-dihydroindene-3,3'-azetidine]
CID 155704532

Frequently Asked Questions

What is the IUPAC name of spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one?
The IUPAC name of spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one (CID 24846104) is spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one.
What is the SMILES notation for spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one?
The canonical SMILES for spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one is O=C1CCC2(CN1)c1ccccc1CCc1ccccc12.
What is the InChIKey of spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one?
The InChIKey is AVZACRJBWWZTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-18-11-12-19(13-20-18)16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)19/h1-8H,9-13H2,(H,20,21).
What are the key properties of spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one?
spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one has a molecular weight of 277.37 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one is sourced from PubChem (CID 24846104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).